SCHEMBL4241829

SCHEMBL4241829

O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1ccc2ncn(CCN3CCOCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.40
SRC P12931 3/20 0.40
ALOX5 P09917 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPK8 P45983 5/20 0.37
MAPK10 P53779 5/20 0.37
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK11 Q15759 3/20 0.36
MAPK14 Q16539 3/20 0.36
MAPT P10636 1/20 0.36
ACVR1 Q04771 1/20 0.36
ESRRA P11474 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL4241832 1.00 CDK9 (0.40) CDK9SRCALOX5HDAC1HDAC2
SCHEMBL4244021 0.96 ACVR1 (0.41) CDK9SRCALOX5HDAC1HDAC2
SCHEMBL4244023 0.96 ACVR1 (0.41) CDK9SRCALOX5HDAC1HDAC2
SCHEMBL4241180 0.94 HDAC1 (0.41) CDK9SRCHDAC1MAPTESRRA
SCHEMBL4241173 0.94 HDAC1 (0.41) CDK9SRCHDAC1MAPTESRRA
SCHEMBL4244118 0.93 HDAC1 (0.42) CDK9HDAC1MAPTESRRAHTT
SCHEMBL4244117 0.93 HDAC1 (0.42) CDK9HDAC1MAPTESRRAHTT
SCHEMBL4242647 0.91 ALOX5 (0.39) CDK9SRCALOX5HDAC1HDAC2
SCHEMBL4242645 0.91 ALOX5 (0.39) CDK9SRCALOX5HDAC1HDAC2
SCHEMBL4241145 0.90 KDM4E (0.38) CDK9SRCALOX5HDAC1HDAC2

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 CDK9 2965/4885SRC 2511/4885ALOX5 4387/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CDK9 868/4885SRC 141/4885ALOX5 2146/4885

“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.