SCHEMBL3459735

SCHEMBL3459735

NC(=O)c1nc(-c2cccc3ccccc23)cnc1N

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 15/20 0.50
PRKDC P78527 6/20 0.50
NOS1 P29475 1/20 0.48
ATM Q13315 3/20 0.44
CDC7 O00311 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KDM6B O15054 1/20 0.41
FTO Q9C0B1 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
SCHEMBL11907341 0.89 ATR (0.53) ATRPRKDCNOS1ATMMEN1
SCHEMBL3461958 0.85 ATR (0.53) ATRPRKDCNOS1ATMKDM4E
SCHEMBL3461447 0.84 ATR (0.68) ATRPRKDCATM
SCHEMBL3461548 0.81 ATR (0.68) ATRPRKDCATM
SCHEMBL3460267 0.78 ATR (0.70) ATRPRKDCATM
SCHEMBL24248259 0.77 ATR (0.67) ATRPRKDCATM
SCHEMBL14237367 0.76 LDHA (0.60) ATRPRKDCATM
SCHEMBL3462610 0.75 ATR (0.63) ATRPRKDCATM
SCHEMBL3461469 0.74 ATR (0.53) ATRPRKDCNOS1ATM
SCHEMBL3460420 0.74 ASIC3 (0.63) ATRPRKDCATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ATR 556/4885PRKDC 124/4885NOS1 4015/4885

“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.