SCHEMBL3460741

SCHEMBL3460741

CNC(=O)c1nc(-c2cccc(CN[C@H]3CCCc4ccccc43)c2)cnc1N

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.49
PIK3CA P42336 7/20 0.49
PIK3CG P48736 7/20 0.49
CFD P00746 2/20 0.49
ATR Q13535 5/20 0.47
PIK3CB P42338 5/20 0.47
KDM4E B2RXH2 2/20 0.47
DHFR P00374 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL13401171 0.95 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGATRPIK3CB
SCHEMBL3461708 0.95 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGATRPIK3CB
SCHEMBL3461941 0.95 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGATRPIK3CB
SCHEMBL3461360 0.88 ATR (0.46) PIK3CDPIK3CAPIK3CGATRPIK3CB
SCHEMBL3460717 0.88 ATR (0.48) CFDATR
SCHEMBL3460183 0.88 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGATRPIK3CB
SCHEMBL3460698 0.87 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGATRPIK3CB
SCHEMBL3462634 0.87 ATR (0.47) CFDATR
SCHEMBL3460239 0.87 ACVR1 (0.47) PIK3CDPIK3CAPIK3CGATR
SCHEMBL3461714 0.86 ATR (0.45) PIK3CDPIK3CAPIK3CGCFDATR

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
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
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US 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.