SCHEMBL12465877

SCHEMBL12465877

COc1ccc(-c2nn3ccc(Br)cc3c2CC=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPM1 P06748 1/20 0.37
ALK Q9UM73 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
NLRP3 Q96P20 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RPA1 P27694 1/20 0.34
TSPO P30536 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ADORA1 P30542 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL9959559 0.82 KMT2A (0.40) NPM1ALKKMT2AMEN1KDM4E
SCHEMBL12465680 0.78 NPM1 (0.36) NPM1ALKKMT2AMEN1KDM4E
SCHEMBL12465701 0.77 HRH3 (0.44) KMT2AMEN1KDM4EALDH1A1
SCHEMBL12465649 0.75 NPM1 (0.37) NPM1ALKKMT2AMEN1KDM4E
SCHEMBL12687660 0.75 NPM1 (0.37) NPM1ALKKMT2AMEN1KDM4E
SCHEMBL12465648 0.75 NPM1 (0.37) NPM1ALKKMT2AMEN1KDM4E
SCHEMBL9953203 0.75 ADORA1 (0.46) NPM1ALKKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL12465729 0.74 NPM1 (0.37) NPM1ALKKMT2AMEN1KDM4E
SCHEMBL9959511 0.74 KMT2A (0.43) NPM1ALKKMT2AMEN1KDM4E
SCHEMBL9959512 0.74 KMT2A (0.43) NPM1ALKKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493456-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators UNIVERSITE DE MONTREAL (CA) 2016-11-15 US disclosed
US-9493456-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators UNIVERSITE DE MONTREAL (CA) 2016-11-15 US disclosed
US-9493456-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators UNIVERSITE DE MONTREAL (CA) 2016-11-15 US disclosed
US-20150197520-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal 2015-07-16 US disclosed
US-20150197520-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal 2015-07-16 US disclosed
US-20150197520-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal 2015-07-16 US disclosed
US-9018395-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators Université de Montréal (CA) 2015-04-28 US disclosed
US-9018395-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators Université de Montréal (CA) 2015-04-28 US disclosed
US-9018395-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators Université de Montréal (CA) 2015-04-28 US disclosed
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2014-02-27 US disclosed
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2014-02-27 US disclosed
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2014-02-27 US disclosed
WO-2012100342-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-08-02 WO disclosed
WO-2012100342-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-08-02 WO 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 (2 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-20150197520-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R NPM1 3336/4885ALK 1638/4885KMT2A 2083/4885
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R NPM1 3409/4885ALK 1970/4885KMT2A 2510/4885

“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.