SCHEMBL3460679

SCHEMBL3460679

CNC(=O)c1nc(-c2cccc(CNCc3cc(Cl)ccc3Cl)c2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.55
PIK3CA P42336 18/20 0.55
PIK3CG P48736 18/20 0.55
PIK3CB P42338 17/20 0.55
ATR Q13535 2/20 0.51
EGFR P00533 1/20 0.49
RAF1 P04049 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
MTOR P42345 1/20 0.49
MAP2K1 Q02750 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3459991 0.89 PIK3CD (0.54) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461059 0.88 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461458 0.86 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462008 0.85 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL14237244 0.85 PIK3CD (0.61) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460803 0.84 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461969 0.84 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462799 0.83 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461506 0.83 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461868 0.83 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGPIK3CBATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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 (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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 PIK3CD 375/4885PIK3CA 463/4885PIK3CG 477/4885

“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.