SCHEMBL3459847

SCHEMBL3459847

Nc1ncc(-c2ccccc2)nc1C(=O)NCC1CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.66
PRKDC P78527 5/20 0.62
TYRO3 Q06418 2/20 0.60
PRKCA P17252 1/20 0.55
GSK3B P49841 1/20 0.55
PRKCQ Q04759 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
ATM Q13315 2/20 0.54
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
SCHEMBL3460707 0.83 ALDH1A1 (0.58) ATRPRKDCATM
SCHEMBL3460080 0.82 TYRO3 (0.60) ATRTYRO3
SCHEMBL3461372 0.82 ATR (0.74) ATRPRKDCATMCYP3A4
SCHEMBL3461075 0.81 ATR (0.66) ATRPRKDCATMCYP3A4
SCHEMBL6711860 0.81 ATR (0.66) ATRPRKDCATMCYP3A4
SCHEMBL3460599 0.81 ATR (0.73) ATRPRKDCTYRO3PRKCAGSK3B
SCHEMBL3042863 0.80 ATR (1.00) ATRPRKDCATM
SCHEMBL3460865 0.80 TYRO3 (0.66) ATRTYRO3
SCHEMBL3593544 0.79 ATR (0.63) ATRPRKDCATMCYP3A4
SCHEMBL3462067 0.79 ATR (0.63) 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 124/4885TYRO3 790/4885

“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.