SCHEMBL3461591

SCHEMBL3461591

NC(=NO)c1nc(-c2cccc(CO)c2)cnc1N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.53
ASIC3 Q9UHC3 1/20 0.43
FYN P06241 3/20 0.42
CDK8 P49336 1/20 0.41
PRKDC P78527 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41

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
SCHEMBL13435692 0.84 ATR (0.62) ATRFYNCDK8PRKDCPIK3CD
SCHEMBL13138740 0.81 ATR (0.56) ATRASIC3PRKDC
SCHEMBL3461588 0.79 ATR (0.52) ATRFYNCDK8PRKDCPIK3CD
SCHEMBL3459928 0.79 ATR (0.53) ATRFYNPRKDCPIK3CDPIK3CA
SCHEMBL3460917 0.78 PIK3CD (0.67) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3460485 0.76 ACVR1 (0.61) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3462218 0.76 ATR (0.49) ATRFYNCDK8PRKDCPIK3CD
SCHEMBL3470695 0.76 ATR (0.58) ATRASIC3PRKDCPIK3CDPIK3CA
SCHEMBL3470701 0.76 ATR (0.58) ATRASIC3PRKDCPIK3CDPIK3CA
SCHEMBL3459845 0.74 ATR (0.58) ATRFYNCDK8PRKDCLDHA

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 3 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 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 556/4885ASIC3 4233/4885FYN 704/4885

“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.