SCHEMBL4249780

SCHEMBL4249780

O=Cc1ccc2ncn(CC3CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 15/20 0.47
GABRB3 P28472 15/20 0.47
GABRA5 P31644 15/20 0.47
FGFR1 P11362 1/20 0.39
CDK9 P50750 2/20 0.38

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
SCHEMBL4242652 0.86 LMNA (0.53) GABRG2GABRB3GABRA5FGFR1
SCHEMBL31509276 0.84 GRIN2B (0.42) GABRG2GABRB3GABRA5FGFR1CDK9
SCHEMBL4243941 0.82 LMNA (0.59) FGFR1CDK9
SCHEMBL5695756 0.79 HDAC1 (0.48) FGFR1
SCHEMBL17678092 0.78 GABRG2 (0.50) GABRG2GABRB3GABRA5CDK9
SCHEMBL17678028 0.78 GABRG2 (0.50) GABRG2GABRB3GABRA5
SCHEMBL13931440 0.77 HDAC1 (0.50) FGFR1
SCHEMBL21026237 0.75 GABRG2 (0.48) GABRG2GABRB3GABRA5
SCHEMBL28684427 0.75 POLB (0.55) FGFR1
SCHEMBL3414135 0.75 HDAC1 (0.53) FGFR1

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 GABRG2 4780/4885GABRB3 4016/4885GABRA5 4700/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA GABRG2 3604/4885GABRB3 3083/4885GABRA5 3093/4885

“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.