SCHEMBL3780684

SCHEMBL3780684

Cc1cc(C)n(-c2nnc(N)nn2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.61
SMN1; SMN2 Q16637 6/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 3/20 0.57
TSHR P16473 2/20 0.53
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 5/20 0.49
MAPK1 P28482 4/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 3/20 0.46
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
XBP1 P17861 1/20 0.45
NTSR1 P30989 1/20 0.45
CYP1A2 P05177 2/20 0.45

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
SCHEMBL3712068 0.89 RAB9A (0.67) HTTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL17468789 0.83 RAB9A (0.61) HTTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL12767148 0.80 HTT (0.83) HTTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL17482180 0.80 SMN1; SMN2 (0.57) HTTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL27926814 0.79 SMN1; SMN2 (0.66) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL7694906 0.78 SMN1; SMN2 (0.70) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3661523 0.78 SMN1; SMN2 (0.54) HTTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL4138642 0.76 HTT (0.68) HTTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL20626725 0.75 MAPT (0.55) HTTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL17482198 0.75 SMN1; SMN2 (0.49) HTTSMN1; SMN2RAB9ANPC1TSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5274091-A ADMPT and its synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1993-12-28 US claimed
US-10174064-B2 Photoactive energetic materials TRIAD NATIONAL SECURITY, LLC (US) 2019-01-08 US disclosed
EP-2220176-B1 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECH INTELLECTUAL PROPERTY LTD (IE) 2018-09-19 EP disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 US disclosed
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 US disclosed
US-20100330380-A1 Organosilane Coating Compositions and Use Thereof DUBLIN CITY UNIVERSITY (IE) 2010-12-30 US disclosed
US-20100330380-A1 Organosilane Coating Compositions and Use Thereof DUBLIN CITY UNIVERSITY (IE) 2010-12-30 US disclosed
US-20100330380-A1 Organosilane Coating Compositions and Use Thereof DUBLIN CITY UNIVERSITY (IE) 2010-12-30 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed
US-5281706-A Synthesis of 3,6-diamino-1,2,4,5-tetrazine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1994-01-25 US disclosed
US-5274091-A ADMPT and its synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1993-12-28 US disclosed
US-5274091-A ADMPT and its synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1993-12-28 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-10174064-B2 Photoactive energetic materials NOX5, TRPM5, MT-ND5 HTT 1534/4885SMN1; SMN2 4635/4885RAB9A 4208/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 HTT 1534/4885SMN1; SMN2 4635/4885RAB9A 4208/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP HTT 2080/4885SMN1; SMN2 2829/4885RAB9A 2307/4885

“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.