SCHEMBL3460037

SCHEMBL3460037

CCNC(=O)c1nc(-c2cccc(C(=O)OC)c2)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.57
ATR Q13535 16/20 0.56
PRKDC P78527 2/20 0.54
PIK3CD O00329 2/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CG P48736 2/20 0.52
PIK3CB P42338 1/20 0.51
TYRO3 Q06418 1/20 0.49

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
SCHEMBL3460516 0.89 ATR (0.70) ACVR1ATRPRKDCPIK3CDPIK3CA
SCHEMBL3462214 0.86 ACVR1 (0.61) ACVR1ATRPRKDCPIK3CDPIK3CA
SCHEMBL3460237 0.85 ATR (0.61) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3460485 0.83 ACVR1 (0.61) ACVR1ATRPRKDCPIK3CDPIK3CA
SCHEMBL3460825 0.83 ATR (0.58) ACVR1ATRPRKDC
SCHEMBL3461489 0.83 ATR (0.65) ACVR1ATRPRKDCTYRO3
SCHEMBL3461134 0.82 ACVR1 (0.63) ACVR1ATRPRKDCPIK3CDPIK3CA
SCHEMBL31225088 0.82 CDK8 (0.54) ATRPRKDC
SCHEMBL23419962 0.81 ATR (0.69) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL23420130 0.81 ATR (0.54) ATRPRKDCPIK3CDPIK3CAPIK3CG

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 9 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
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 ACVR1 3787/4885ATR 556/4885PRKDC 124/4885

“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.