SCHEMBL38942

SCHEMBL38942

Nc1nc(N2CC2)c2[nH]cnc2n1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.85
PDPK1 O15530 2/20 0.58
GDA Q9Y2T3 1/20 0.58
CDK2 P24941 2/20 0.54
DPP4 P27487 1/20 0.54
PDGFRB P09619 1/20 0.54
HTT P42858 4/20 0.50
MAP3K5 Q99683 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
ADORA1 P30542 5/20 0.49
ADORA3 P0DMS8 4/20 0.49
AKT2 P31751 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
ADORA2A P29274 2/20 0.48
ADORA2B P29275 1/20 0.48
RECQL P46063 1/20 0.47
CHEK1 O14757 1/20 0.46
PAK1 Q13153 1/20 0.46

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
Hydrochloric Acid SCHEMBL7290518 0.89 HRH4 (0.70) HRH4PDPK1GDACDK2DPP4
SCHEMBL6823677 0.80 HRH4 (0.62) HRH4PDPK1GDACDK2DPP4
SCHEMBL1030947 0.80 HRH4 (0.61) HRH4CDK2DPP4PDGFRBADORA1
SCHEMBL3773144 0.78 HRH4 (0.56) HRH4PDPK1GDACDK2DPP4
SCHEMBL7664448 0.76 PDGFRB (0.55) HRH4PDGFRBHTTLMNACDK1
2,6-Diaminopurine SCHEMBL24053 0.74 PDPK1 (1.00) HRH4PDPK1GDACDK2DPP4
SCHEMBL17364332 0.73 DPP4 (0.51) HRH4PDPK1GDACDK2DPP4
SCHEMBL7298815 0.73 HRH4 (0.70) HRH4HTTMAP3K5MAPK1TP53
SCHEMBL3780112 0.73 HRH4 (0.51) HRH4PDPK1GDACDK2DPP4
SCHEMBL6755685 0.73 HTT (0.86) HRH4PDPK1HTTMAP3K5MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11965209-B2 Method for obtaining structural information concerning an encoded molecule and method for selecting compounds NUEVOLUTION A/S (DK) 2024-04-23 US claimed
US-20220205027-A1 METHOD FOR OBTAINING STRUCTURAL INFORMATION CONCERNING AN ENCODED MOLECULE AND METHOD FOR SELECTING COMPOUNDS NUEVOLUTION A/S (DK) 2022-06-30 US claimed
EP-3013958-B1 GLUCAN-ENCAPSULATED SIRNA FOR TREATING TYPE 2 DIABETES MELLITUS US HEALTH (US) 2019-12-25 EP claimed
US-10077446-B2 Glucan-encapsulated siRNA for treating type 2 diabetes mellitus THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2018-09-18 US claimed
US-9885035-B2 Method for the synthesis of a bifunctional complex NUEVOLUTION A/S (DK) 2018-02-06 US claimed
US-20160138028-A1 GLUCAN-ENCAPSULATED SIRNA FOR TREATING TYPE 2 DIABETES MELLITUS UNIVERSITY OF MASSACHUSETTS 2016-05-19 US claimed
EP-3013958-A1 GLUCAN-ENCAPSULATED SIRNA FOR TREATING TYPE 2 DIABETES MELLITUS The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2016-05-04 EP claimed
WO-2014210041-A1 GLUCAN-ENCAPSULATED SIRNA FOR TREATING TYPE 2 DIABETES MELLITUS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICE (US) 2014-12-31 WO claimed
US-12043653-B2 Efficient delivery of therapeutic molecules to cells of the inner ear MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2024-07-23 US disclosed
US-11963968-B2 Treatment of hearing loss MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2024-04-23 US disclosed
US-20240115678-A1 PERSONALIZED MULTIDISCIPLINARY CANCER THERAPY VELTMEYER JAMES (US) 2024-04-11 US disclosed
EP-3204032-B1 CHIMERIC MOLECULE COMPRISING CRISPR/CAS OR CAS9 NUCLEASE AND AT LEAST ONE GUIDE RNA TARGETING PMCA2 GENE LOCUS AND FUSED, COMPLEXED OR LINKED TO AN ANIONIC FLUORESCENT PROTEIN, AND ITS USE IN THE TREATMENT OF DEAFNESS OR DISORDERS THEREOF MASSACHUSETTS EYE & EAR INFIRMARY (US) 2024-03-27 EP disclosed
US-20240092819-A1 NOVEL LIGANDS FOR ASIALOGLYCOPROTEIN RECEPTOR SANOFI SA (FR) 2024-03-21 US disclosed
US-20240067963-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIAC DISEASES JAAN BIOTHERAPEUTICS, INC. 2024-02-29 US disclosed
WO-2007120166-A2 MINIATURIZED IN VITRO PROTEIN EXPRESSION ARRAY UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-10-25 WO disclosed
US-20070212311-A1 Recombinant Alkalinizing Bacteria UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-09-13 US disclosed
US-20060057622-A1 Low cycle amplification of RNA molecules UNIVERSITY OF FLORIDA (US) 2006-03-16 US disclosed
WO-2005052145-A2 RECOMBINANT ALKALIIZING BACTERIA UNIVERSITY OF FLORIDA (US) 2005-06-09 WO disclosed
US-6639059-B1 Novel synthesis strategy comprising novel key intermediate, (2.2.1)bicyclo nucleosides are produced at least two steps shorter than any previously known strategy; 3-O-aryl-4-C-hydroxymethyl-1,2-O-isopropylidene-alpha-D-ribofuranose EXIQON A/S (DK) 2003-10-28 US disclosed
US-20030198960-A1 Signal amplifying targeted reporters for biological and chemical sensor applications INTEGRATED NANOSYSTEMS, INC. 2003-10-23 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 (3 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-12043653-B2 Efficient delivery of therapeutic molecules to cells of the inner ear HES1, NOTCH1, NOTCH2 HRH4 1693/4885PDPK1 2970/4885GDA 4433/4885
US-20240092819-A1 NOVEL LIGANDS FOR ASIALOGLYCOPROTEIN RECEPTOR ASGR1, HAVCR2, SIGLEC7 HRH4 1323/4885PDPK1 3426/4885GDA 439/4885
US-11963968-B2 Treatment of hearing loss HES1, NOTCH1, NOTCH4 HRH4 3263/4885PDPK1 192/4885GDA 4150/4885

“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.