SCHEMBL4238482

SCHEMBL4238482

Cn1c(C(F)(F)F)nc2ccc(C=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
ACSS2 Q9NR19 6/20 0.39
CHRM4 P08173 2/20 0.39
KIF11 P52732 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL4240671 0.86 CYP2A6 (0.45) CYP2A6ACSS2
SCHEMBL5987629 0.78 ACSS2 (0.49) ACSS2CHRM4MAPK1
SCHEMBL4248945 0.78 KDM4E (0.50) CYP2A6
SCHEMBL31347018 0.76 CYP2A6 (0.47) CYP2A6
SCHEMBL2119107 0.76 CHRM4 (0.38) ACSS2CHRM4TPSAB1TPSD1TPSG1
SCHEMBL2117179 0.76 KDM4E (0.44) ACSS2CHRM4TPSAB1TPSD1TPSG1
SCHEMBL17378563 0.76 RAB9A (0.45) ACSS2CHRM4
SCHEMBL15110814 0.76 MEN1 (0.44) ACSS2CHRM4MAPK1
SCHEMBL2117185 0.76 CHRM4 (0.38) ACSS2CHRM4TPSAB1TPSD1TPSG1
SCHEMBL2118876 0.75 ALDH1A1 (0.43) ACSS2CHRM4TPSAB1TPSD1TPSG1

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 6 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
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 CYP2A6 4715/4885ACSS2 1841/4885CHRM4 4454/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CYP2A6 2730/4885ACSS2 2397/4885CHRM4 3693/4885

“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.