SCHEMBL3459738

SCHEMBL3459738

CNC(=O)c1nc(-c2cncc(C(=O)NCc3ccccc3)c2)cnc1N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
PIK3CD O00329 10/20 0.53
PIK3CA P42336 10/20 0.53
PIK3CG P48736 10/20 0.53
PIK3CB P42338 7/20 0.53
ATR Q13535 6/20 0.53
PRKDC P78527 1/20 0.53
ATM Q13315 1/20 0.53
KLKB1 P03952 1/20 0.52
KLK1 P06870 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
LDHA P00338 1/20 0.48
LDHB P07195 1/20 0.48

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
SCHEMBL3459849 0.90 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461333 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461899 0.88 ATR (0.68) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461248 0.87 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461603 0.86 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461462 0.85 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460933 0.85 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461223 0.85 ATR (0.59) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461500 0.84 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462676 0.84 KLKB1 (0.48) PIK3CDPIK3CAPIK3CGPIK3CBKLKB1

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 4 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
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 SCN2A 974/4885SCN10A 2558/4885PIK3CD 375/4885

“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.