SCHEMBL4237331

SCHEMBL4237331

COc1ccccc1NC1=NC(=O)/C(=C/c2ccc3ncn(C)c3c2)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
MEN1 O00255 9/20 0.39
KMT2A Q03164 9/20 0.39
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
ALOX5 P09917 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
DDX3X O00571 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
GAA P10253 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL4237335 1.00 MCHR1 (0.41) MCHR1MEN1KMT2APOLBL3MBTL1
SCHEMBL4243949 0.87 ENPP2 (0.39) MEN1KMT2AL3MBTL1MAPTALOX5
SCHEMBL4243954 0.87 ENPP2 (0.39) MEN1KMT2AL3MBTL1MAPTALOX5
SCHEMBL4238056 0.84 CLK1 (0.36) KMT2AALDH1A1GAA
SCHEMBL4238061 0.84 CLK1 (0.36) KMT2AALDH1A1GAA
SCHEMBL4245427 0.82 CISD1 (0.38) MEN1KMT2AALOX5
SCHEMBL4245421 0.82 CISD1 (0.38) MEN1KMT2AALOX5
SCHEMBL4245423 0.81 CLK1 (0.36) MEN1KMT2AMAPTHPGDALOX5
SCHEMBL4245428 0.81 CLK1 (0.36) MEN1KMT2AMAPTHPGDALOX5
SCHEMBL5470120 0.81 CLK1 (0.38) MCHR1MEN1KMT2APOLBMAPT

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 claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US 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 MCHR1 3365/4885MEN1 3687/4885KMT2A 2981/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA MCHR1 4843/4885MEN1 2870/4885KMT2A 3096/4885

“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.