SCHEMBL5770101

SCHEMBL5770101

Cc1ccc(-c2cn[nH]c(=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
HRH3 Q9Y5N1 7/20 0.45
HTR3A P46098 2/20 0.45
KCNH2 Q12809 2/20 0.44
LRRK2 Q5S007 1/20 0.43
NOTUM Q6P988 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
XDH P47989 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1691424 0.81 HTR3A (0.45) HRH3HTR3AKCNH2NOTUMMETAP2
SCHEMBL10537216 0.81 AOC3 (0.50) MEN1KMT2AHRH3HTR3AKCNH2
SCHEMBL5562512 0.80 NOTUM (0.47) HTR3ANOTUMMETAP2XDH
SCHEMBL1373045 0.80 KMT2A (0.51) MEN1LMNAKMT2AHRH3HTR3A
SCHEMBL497670 0.80 GSK3B (0.52) LMNAHRH3HTR3AKCNH2LRRK2
SCHEMBL2675558 0.79 CDK5 (0.44) HRH3HTR3AKCNH2METAP2
SCHEMBL31020318 0.76 HTR3A (0.57) MEN1LMNAKMT2AHRH3HTR3A
SCHEMBL18339224 0.75 MAPK1 (0.48) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1150386 0.74
SCHEMBL497977 0.74 PDE4A (0.55) MEN1LMNAKMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 US disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 US disclosed
US-8278316-B2 Aza pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
US-20120010209-A1 IMIDAZO[1,2-A]PYRIDINES AND IMIDAZO[1,2-b]PYRIDAZINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2012-01-12 US disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
WO-2005063761-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO disclosed
US-4810705-A BENZODIAZEPINE DERIVATIVE ANTAGONISTS SANOFI (FR) 1989-03-07 US disclosed
EP-0156734-A2 Triazolo[4,3-b]pyridazines, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1985-10-02 EP 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 (5 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-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MEN1 939/4885LMNA 4448/4885KMT2A 1331/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 MEN1 1448/4885LMNA 1957/4885KMT2A 3915/4885
US-20120010209-A1 IMIDAZO[1,2-A]PYRIDINES AND IMIDAZO[1,2-b]PYRIDAZINES AS MARK INHIBITORS MARK3, MARK4, MAP2 MEN1 3814/4885LMNA 1904/4885KMT2A 498/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 MEN1 1448/4885LMNA 1957/4885KMT2A 3915/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 MEN1 1448/4885LMNA 1957/4885KMT2A 3915/4885

“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.