SCHEMBL3467322

SCHEMBL3467322

Nc1ncc(-c2cccc(C(=O)NC3CCc4ccccc43)c2)nc1C(=O)NC1CCCCNC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.52
TYRO3 Q06418 4/20 0.48
ACVR2A P27037 1/20 0.46
TGFBR2 P37173 1/20 0.46
CFD P00746 2/20 0.46
ROCK2 O75116 1/20 0.43
ACVR1 Q04771 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL3462512 1.00 ATR (0.52) ATRTYRO3ACVR2ATGFBR2CFD
SCHEMBL3461604 1.00 ATR (0.52) ATRTYRO3ACVR2ATGFBR2CFD
SCHEMBL3461987 1.00 ATR (0.52) ATRTYRO3ACVR2ATGFBR2CFD
SCHEMBL3461295 0.98 ATR (0.53) ATRTYRO3ACVR2ATGFBR2CFD
SCHEMBL3460411 0.98 ATR (0.53) ATRTYRO3ACVR2ATGFBR2CFD
SCHEMBL3462159 0.98 ATR (0.53) ATRTYRO3ACVR2ATGFBR2CFD
SCHEMBL3461144 0.98 ATR (0.53) ATRTYRO3ACVR2ATGFBR2CFD
SCHEMBL3460584 0.94 ATR (0.54) ATRTYRO3CFD
SCHEMBL3460598 0.94 ATR (0.54) ATRTYRO3CFD
SCHEMBL3461684 0.92 TYRO3 (0.57) ATRTYRO3ACVR2ATGFBR2CFD

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 790/4885ACVR2A 2128/4885

“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.