SCHEMBL4241393

SCHEMBL4241393

Cn1c(-c2cccnc2)nc2cc(C=O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.56
CYP11B1 P15538 6/20 0.56
NAMPT P43490 1/20 0.51
ATM Q13315 1/20 0.50
KIT P10721 4/20 0.46
TTK P33981 1/20 0.44
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
DHFR P00374 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL10176167 0.80 CYP11B2 (0.80) CYP11B2CYP11B1NAMPTATMKIT
SCHEMBL10175606 0.80 CYP11B2 (0.60) CYP11B2CYP11B1NAMPTATMKIT
SCHEMBL10176218 0.80 CYP11B2 (0.60) CYP11B2CYP11B1NAMPTATMKIT
SCHEMBL19763372 0.80 CA1 (0.51) HTTMEN1KMT2A
SCHEMBL17883781 0.80 PTGS2 (0.57) CYP11B2CYP11B1NAMPTATMKIT
SCHEMBL12407941 0.79 MDM2 (0.49) NAMPTATMTTKDHFR
SCHEMBL17896670 0.79 NAMPT (0.67) CYP11B2CYP11B1NAMPTATMKIT
SCHEMBL10175817 0.78 RAD51 (0.60) CYP11B2CYP11B1NAMPTATMKIT
SCHEMBL1104859 0.78 MEN1 (0.69) CYP11B2CYP11B1ATMUSP2HTT
SCHEMBL10175106 0.78 ALDH1A1 (0.56) CYP11B2CYP11B1NAMPTATMKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4239/4885NAMPT 3218/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CYP11B2 1629/4885CYP11B1 1275/4885NAMPT 1598/4885

“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.