SCHEMBL3460554

SCHEMBL3460554

CNC(=O)c1nc(-c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
PIK3CD O00329 13/20 0.56
PIK3CA P42336 13/20 0.56
PIK3CB P42338 13/20 0.56
PIK3CG P48736 13/20 0.56
ATR Q13535 2/20 0.53
PRKDC P78527 1/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
NLRP1 Q9C000 1/20 0.52

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
SCHEMBL3461741 0.91 PIK3CD (0.55) EPHX2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3461458 0.83 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL3460861 0.82 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL3461801 0.81 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL3460046 0.81 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL3461038 0.81 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL3460164 0.81 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL3460625 0.80 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL3461525 0.80 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL3461899 0.80 ATR (0.68) PIK3CDPIK3CAPIK3CBPIK3CGATR

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 8 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-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 EPHX2 3588/4885PIK3CD 375/4885PIK3CA 463/4885

“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.