SCHEMBL3459955

SCHEMBL3459955

CC(C)(C)C1[C@@H](NC(=O)c2nc(-c3cccc(C(=O)NCCc4ccccc4)c3)cnc2N)CCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.51
TYRO3 Q06418 1/20 0.44
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43

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
SCHEMBL3461314 0.88 ATR (0.46) ATR
SCHEMBL3459793 0.87 ATR (0.47) ATRTYRO3
SCHEMBL3462373 0.87 ATR (0.58) ATRTYRO3
SCHEMBL3462612 0.86 ATR (0.55) ATR
SCHEMBL3460570 0.86 ATR (0.55) ATR
SCHEMBL3461385 0.86 ATR (0.46) ATRTYRO3
SCHEMBL3460688 0.86 ATR (0.46) ATR
SCHEMBL3460935 0.86 ATR (0.46) ATRTYRO3
SCHEMBL14237297 0.84 ATR (0.50) ATR
SCHEMBL3462166 0.84 TYRO3 (0.47) ATRTYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 556/4885TYRO3 790/4885AXL 895/4885

“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.