SCHEMBL3462610

SCHEMBL3462610

NC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)cnc1N

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.63
PRKDC P78527 8/20 0.63
ATM Q13315 3/20 0.62
IKBKB O14920 1/20 0.61
MAP2K3 P46734 1/20 0.58
CYP3A4 P08684 1/20 0.53

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
SCHEMBL24248259 0.97 ATR (0.67) ATRPRKDCATMIKBKBMAP2K3
SCHEMBL3460420 0.90 ASIC3 (0.63) ATRPRKDCATMIKBKB
SCHEMBL318797 0.85 ATR (0.68) ATRPRKDCATMIKBKBCYP3A4
SCHEMBL18895999 0.84 ATR (0.64) ATRPRKDCATMIKBKB
SCHEMBL28049139 0.84 ATR (0.64) ATRPRKDCATMIKBKB
SCHEMBL3461469 0.84 ATR (0.53) ATRPRKDCATMIKBKB
SCHEMBL20433206 0.83 ATR (0.67) ATRIKBKBCYP3A4
SCHEMBL3461744 0.83 PARP10 (0.53) ATRPRKDCATMIKBKB
Hydrochloric Acid SCHEMBL28324236 0.83 IKBKB (0.58) ATRPRKDCATMIKBKBMAP2K3
SCHEMBL14525246 0.83 ATR (0.65) ATRPRKDCATMCYP3A4

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
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
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 556/4885PRKDC 124/4885ATM 398/4885

“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.