Sugi Predict

Sugi Predict / Compounds / SCHEMBL4244023

SCHEMBL4244023

SCHEMBL4244023

O=C1N=C(Nc2ccccc2Cl)SC1=Cc1ccc2ncn(CCCN3CCOCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ MAPK8 P45983 4/20 0.37
▸ MAPK10 P53779 4/20 0.37
▸ MAPK13 O15264 2/20 0.37
▸ MAPK12 P53778 2/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD3 P35462 2/20 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
SCHEMBL4244021 1.00 ACVR1 (0.41) ACVR1MAPK1MAPK8MAPK10MAPK13
SCHEMBL4241832 0.96 CDK9 (0.40) ACVR1MAPK1MAPK8MAPK10MAPK13
SCHEMBL4241829 0.96 CDK9 (0.40) ACVR1MAPK1MAPK8MAPK10MAPK13
SCHEMBL4242455 0.92 ENPP2 (0.41) SRCDRD2DRD4DRD3HDAC1
SCHEMBL4242447 0.92 ACVR1 (0.40) ACVR1MAPK1MAPK10MAPK13MAPK12
SCHEMBL4242458 0.92 ENPP2 (0.41) SRCDRD2DRD4DRD3HDAC1
SCHEMBL4242444 0.92 ACVR1 (0.40) ACVR1MAPK1MAPK10MAPK13MAPK12
SCHEMBL4241173 0.90 HDAC1 (0.41) CDK9ALDH1A1SRCHDAC1MAPT
SCHEMBL4241180 0.90 HDAC1 (0.41) CDK9ALDH1A1SRCHDAC1MAPT
SCHEMBL4244118 0.89 HDAC1 (0.42) CDK9ALDH1A1HPGDHDAC1MAPT

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 9 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
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 — — EP claimed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 — — WO claimed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 — — EP claimed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 — — WO claimed
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 ACVR1 3790/4885MAPK1 1623/4885MAPK8 1276/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA ACVR1 3488/4885MAPK1 1490/4885MAPK8 1644/4885

“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.