SCHEMBL3460413

SCHEMBL3460413

CNC(=O)c1nc(-c2cccc(C(=O)NC3CC3)c2)cnc1N

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.72
TYRO3 Q06418 2/20 0.62
PIK3CD O00329 5/20 0.62
PIK3CA P42336 5/20 0.62
PIK3CG P48736 5/20 0.62
PIK3CB P42338 3/20 0.60
ACVR2A P27037 1/20 0.56
TGFBR2 P37173 1/20 0.56
ACVR1 Q04771 1/20 0.55

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
SCHEMBL3460257 0.96 ATR (0.67) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3825300 0.95 ATR (0.66) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3461634 0.90 ATR (0.63) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3462042 0.89 TYRO3 (0.61) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3461011 0.89 ATR (0.74) ATRTYRO3ACVR2ATGFBR2ACVR1
SCHEMBL3461596 0.89 PIK3CD (0.72) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460074 0.87 ATR (0.65) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3462402 0.86 ATR (0.67) ATRACVR1
SCHEMBL3459905 0.86 ATR (0.74) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3461489 0.86 ATR (0.65) ATRTYRO3ACVR2ATGFBR2ACVR1

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 ATR 556/4885TYRO3 790/4885PIK3CD 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.