SCHEMBL12465752

SCHEMBL12465752

CCOC(=O)c1cc(O)n2nc(-c3ccc(OC)cc3)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 5/20 0.51
HPGD P15428 5/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
PKM P14618 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL12465793 0.88 MAPT (0.53) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL12465862 0.81 MAPT (0.54) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL23998448 0.80 ADORA2A (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL21177165 0.79 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL23998462 0.78 ALDH1A1 (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL18198637 0.77 NPC1 (0.49) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL23953854 0.77 ALDH1A1 (0.45) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL22491865 0.77 POLB (0.48) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL13501425 0.76 HSD17B10 (0.60) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL18198478 0.76 ALDH1A1 (0.44) MEN1KMT2AATMKDM4EALDH1A1

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 MEN1 2226/4885KMT2A 2083/4885ATM 4377/4885
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MEN1 2416/4885KMT2A 2510/4885ATM 4573/4885

“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.