SCHEMBL4241145

SCHEMBL4241145

O=C1N=C(Nc2ccc(F)cc2Cl)S/C1=C\c1ccc2ncn(CCN3CCOCC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 1/20 0.37
CDK9 P50750 2/20 0.37
CISD1 Q9NZ45 1/20 0.37
ESRRA P11474 1/20 0.36
SRC P12931 5/20 0.35
ENPP2 Q13822 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
FLT3 P36888 1/20 0.33

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
SCHEMBL4241149 1.00 KDM4E (0.38) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4241829 0.90 CDK9 (0.40) HPGDSMN1; SMN2ALOX5CDK9ESRRA
SCHEMBL4241832 0.90 CDK9 (0.40) HPGDSMN1; SMN2ALOX5CDK9ESRRA
SCHEMBL4244023 0.86 ACVR1 (0.41) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4244021 0.86 ACVR1 (0.41) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4242647 0.86 ALOX5 (0.39) HPGDALOX5CDK9CISD1ESRRA
SCHEMBL4242645 0.86 ALOX5 (0.39) HPGDALOX5CDK9CISD1ESRRA
SCHEMBL4241180 0.83 HDAC1 (0.41) ALDH1A1CDK9CISD1ESRRASRC
SCHEMBL4241173 0.83 HDAC1 (0.41) ALDH1A1CDK9CISD1ESRRASRC
SCHEMBL4244069 0.83 CISD1 (0.42) ALOX5CISD1ENPP2HDAC1

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 KDM4E 2565/4885HSD17B10 920/4885HPGD 3707/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KDM4E 3686/4885HSD17B10 3245/4885HPGD 3782/4885

“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.