SCHEMBL4368013

SCHEMBL4368013

NCCN1CCNCCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
CXCR4 P61073 5/20 0.52
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 3/20 0.39
RAD52 P43351 1/20 0.39
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
MEN1 O00255 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2C P18825 1/20 0.36
CCR2 P41597 1/20 0.36
CXCL12 P48061 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ACE2 Q9BYF1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Piperazine SCHEMBL2476163 1.00 ALOX15 (0.60) ALOX15CXCR4POLBSMN1; SMN2HSD17B10
SCHEMBL17210 0.97
SCHEMBL790495 0.97 ALOX15 (0.63) ALOX15CXCR4POLBSMN1; SMN2HSD17B10
SCHEMBL8765274 0.97
Bromide SCHEMBL7773479 0.95 ALOX15 (0.60) ALOX15CXCR4POLBSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL3668255 0.95 ALOX15 (0.60) ALOX15CXCR4POLBSMN1; SMN2HSD17B10
Ethylenediamine SCHEMBL15190578 0.95 ALOX15 (0.60) ALOX15CXCR4POLBSMN1; SMN2HSD17B10
Ammonia Solution, Strong SCHEMBL1531194 0.95 ALOX15 (0.60) ALOX15CXCR4POLBSMN1; SMN2HSD17B10
SCHEMBL9349784 0.95 ALOX15 (0.68) ALOX15CXCR4POLBSMN1; SMN2HSD17B10
SCHEMBL7525959 0.95 ALOX15 (0.68) ALOX15CXCR4POLBSMN1; SMN2HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988388-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C- functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-06-05 US disclosed
US-9988388-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C- functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-06-05 US disclosed
US-9981967-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C-functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-05-29 US disclosed
US-9981967-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C-functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-05-29 US disclosed
EP-2922830-B1 SYNTHESIS OF IMIDAZO(1,2-A)PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF UNIV BOURGOGNE (FR) 2018-05-16 EP disclosed
EP-2922830-B1 SYNTHESIS OF IMIDAZO(1,2-A)PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF UNIV BOURGOGNE (FR) 2018-05-16 EP disclosed
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160222018-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C- FUNCTIONALIZED DERIVATIVES THEREOF UNIVERSITE DE BOURGOGNE (FR) 2016-08-04 US disclosed
US-20160222018-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C- FUNCTIONALIZED DERIVATIVES THEREOF UNIVERSITE DE BOURGOGNE (FR) 2016-08-04 US disclosed
US-20140142298-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-05-22 US disclosed
US-20140142298-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-05-22 US disclosed
EP-1511476-B1 NOTA-LIKE MACROCYCLIC LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME US GOV HEALTH & HUMAN SERV (US) 2012-11-07 EP disclosed
EP-1511476-A4 SCORPIONATE-LIKE PENDANT MACROCYCLIC LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME US GOV HEALTH & HUMAN SERV (US) 2009-01-21 EP disclosed
US-7163935-B2 Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-01-16 US disclosed
US-7081452-B2 Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-07-25 US disclosed
US-20050123473-A1 Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRES BY THE SECRETARY, DEPT OF HEALTH AND HUMAN SER. (US) 2005-06-09 US disclosed
EP-1511476-A2 SCORPIONATE-LIKE PENDANT MACROCYCLIC LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2005-03-09 EP disclosed
WO-2003101919-A2 SCORPIONATE-LIKE PENDANT MACROCYCLIC LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-12-11 WO disclosed
US-20030228262-A1 Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same THE GOVERNMENT OF THE UNITED STATES OF AMERICA 2003-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140142298-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF TAC3, TACR2, TACR3 ALOX15 3193/4885CXCR4 535/4885POLB 3913/4885
US-20050123473-A1 Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same CXCR3, CCR5, CALCR ALOX15 2271/4885CXCR4 61/4885POLB 3351/4885
US-20030228262-A1 Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same CXCR3, CCR5, TAC3 ALOX15 2040/4885CXCR4 55/4885POLB 3374/4885
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 ALOX15 2928/4885CXCR4 3217/4885POLB 2608/4885
US-20160222018-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C- FUNCTIONALIZED DERIVATIVES THEREOF TAC3, TACR2, TACR3 ALOX15 2781/4885CXCR4 696/4885POLB 3120/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.