SCHEMBL3461902

SCHEMBL3461902

Nc1ncc(-c2cccc(C(=O)N[C@H]3CCc4ccccc43)c2)nc1C(=O)Nc1ccncn1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.58
CFD P00746 2/20 0.45
PRKDC P78527 2/20 0.44

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
SCHEMBL3461822 0.85 ATR (0.56) ATRCFD
SCHEMBL3461621 0.85 ATR (0.56) ATRCFD
SCHEMBL3462631 0.85 ATR (0.57) ATRCFD
SCHEMBL3462222 0.84 ATR (0.54) ATRCFD
SCHEMBL3460852 0.81 ATR (0.48) ATRCFDPRKDC
SCHEMBL3462173 0.81 ATR (0.48) ATRCFDPRKDC
SCHEMBL3461495 0.80 ATR (0.54) ATR
SCHEMBL3462527 0.80 CFD (0.58) ATRCFD
SCHEMBL3460657 0.80 CFD (0.58) ATRCFD
SCHEMBL3460584 0.80 ATR (0.54) ATRCFD

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 556/4885CFD 4879/4885PRKDC 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.