SCHEMBL4243953

SCHEMBL4243953

Cn1c(-c2cccnc2)nc2cc(C#N)ccc21

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.69
CYP11B1 P15538 6/20 0.58
CYP17A1 P05093 1/20 0.52
ATM Q13315 1/20 0.50
NAMPT P43490 1/20 0.48
CYP19A1 P11511 1/20 0.47
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
PTGS2 P35354 1/20 0.44
MAOA P21397 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA4 P43681 1/20 0.43
KIT P10721 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ALOX5AP P20292 1/20 0.43

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
SCHEMBL461090 0.90 CYP11B2 (0.67) CYP11B2CYP11B1CYP17A1ATMCYP19A1
SCHEMBL13749911 0.85 ATM (0.52) CYP11B2ATMNAMPTKITHTT
SCHEMBL10175456 0.84 MEN1 (0.57) CYP11B2CYP11B1ATMNAMPT
SCHEMBL10175348 0.83 CYP11B2 (0.48) CYP11B2CYP11B1ATM
SCHEMBL10175446 0.81 CYP11B2 (1.00) CYP11B2CYP11B1HTR2BHTR6
SCHEMBL17896641 0.81 CYP11B2 (0.47) CYP11B2CYP11B1ATMCYP19A1
SCHEMBL10175342 0.81 CYP11B2 (0.46) CYP11B2CYP11B1ATMPTGS2
SCHEMBL10175606 0.80 CYP11B2 (0.60) CYP11B2CYP11B1ATMNAMPTHTR2B
SCHEMBL10176218 0.80 CYP11B2 (0.60) CYP11B2CYP11B1ATMNAMPTKIT
SCHEMBL10176167 0.80 CYP11B2 (0.80) CYP11B2CYP11B1ATMNAMPTHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CYP11B2 4272/4885CYP11B1 4239/4885CYP17A1 2705/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CYP11B2 1629/4885CYP11B1 1275/4885CYP17A1 1197/4885

“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.