SCHEMBL12465680

SCHEMBL12465680

COc1ccc(-c2nn3ccc(Br)cc3c2/C=C/C=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPM1 P06748 1/20 0.36
ALK Q9UM73 1/20 0.36
KMT2A Q03164 4/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NLRP3 Q96P20 1/20 0.35
BRD4 O60885 1/20 0.35
RPA1 P27694 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
RECQL P46063 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
SCHEMBL12465681 1.00 NPM1 (0.36) NPM1ALKKMT2ANPC1ALDH1A1
SCHEMBL9959559 0.88 KMT2A (0.40) NPM1ALKKMT2ANPC1ALDH1A1
SCHEMBL12465668 0.87 NPM1 (0.35) NPM1ALKKMT2ANPC1ALDH1A1
SCHEMBL12465669 0.87 NPM1 (0.35) NPM1ALKKMT2ANPC1ALDH1A1
SCHEMBL12465648 0.86 NPM1 (0.37) NPM1ALKKMT2ANPC1ALDH1A1
SCHEMBL12465649 0.86 NPM1 (0.37) NPM1ALKKMT2ANPC1ALDH1A1
SCHEMBL15489225 0.84 ADORA2A (0.35) KMT2ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL15490525 0.83 NPM1 (0.39) NPM1ALKKMT2ANPC1ALDH1A1
SCHEMBL12687660 0.81 NPM1 (0.37) NPM1ALKKMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL12465729 0.81 NPM1 (0.37) NPM1ALKKMT2ANPC1ALDH1A1

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.