SCHEMBL3259765

SCHEMBL3259765

CCn1cc(-c2nnc(Cl)s2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
S1PR1 P21453 2/20 0.40
KCNH2 Q12809 5/20 0.38
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
LRRK2 Q5S007 2/20 0.35
ATR Q13535 1/20 0.35
GRIN2B Q13224 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL3261499 0.81 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3259389 0.78 PTGS1 (0.42) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL7459363 0.70
Benzene SCHEMBL27682221 0.69 CYP2A6 (0.45) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
Benzene SCHEMBL27682124 0.67 KCNH2 (0.43) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL16983116 0.66 KCNH2 (0.50) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL532194 0.65 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL532193 0.65 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL16348305 0.65 IDO1 (0.44) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL21741529 0.65 KCNH2 (0.47) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101678014-B Heterocyclic kinase modulators SGX PHARMACEUTICALS INC 2012-12-12 CN disclosed
CN-101678014-A heterocyclic kinase modulators SGX PHARMACEUTICALS INC 2010-03-24 CN disclosed
EP-2162132-A1 HETEROCYCLIC KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2010-03-17 EP disclosed
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-06-18 US disclosed
WO-2008144767-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-11-27 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 (1 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-20090156594-A1 HETEROCYCLIC KINASE MODULATORS MAP3K20, MAP4K2, MAP3K13 PIK3CA 251/4885PIK3CD 227/4885PIK3CB 198/4885

“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.