SCHEMBL3460945

SCHEMBL3460945

CNC(=O)c1nc(-c2cccc(C(=O)NCc3ccccc3N3CCOCC3)c2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.55
SCN2A Q99250 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
PRKCA P17252 1/20 0.51
PRKCQ Q04759 1/20 0.51
PIK3CD O00329 4/20 0.49
PIK3CA P42336 4/20 0.49
PIK3CG P48736 4/20 0.49
SCN9A Q15858 1/20 0.49
PIK3CB P42338 2/20 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
SCHEMBL3461840 0.92 ATR (0.57) ATRSCN2ASCN10APRKCAPRKCQ
SCHEMBL3462145 0.88 ATR (0.54) ATRSCN2ASCN10APRKCAPRKCQ
SCHEMBL3460624 0.87 ATR (0.59) ATRPRKCAPRKCQPIK3CDPIK3CA
SCHEMBL3460819 0.85 ATR (0.64) ATRPRKCAPRKCQPIK3CDPIK3CA
SCHEMBL3460166 0.84 ATR (0.52) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460845 0.84 PIK3CD (0.59) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3463096 0.82 PIK3CD (0.57) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460021 0.82 PIK3CD (0.57) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL14108028 0.82 SCN2A (0.60) SCN2ASCN10APIK3CASCN9A
SCHEMBL3461038 0.82 PIK3CD (0.56) ATRPIK3CDPIK3CAPIK3CGPIK3CB

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 6 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
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 ATR 556/4885SCN2A 974/4885SCN10A 2558/4885

“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.