SCHEMBL3461398

SCHEMBL3461398

Nc1ncc(-c2cccc(C(=O)NCc3ccccc3OC(F)(F)F)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.48
ATR Q13535 7/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
NTRK1 P04629 4/20 0.42
EPHX2 P34913 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
SCHEMBL3461012 0.91 ATR (0.49) TYRO3ATRROCK2ROCK1
SCHEMBL3462788 0.88 TYRO3 (0.52) TYRO3ATRNTRK1
SCHEMBL3460075 0.87 ATR (0.52) TYRO3ATRNTRK1
SCHEMBL3460132 0.87 ATR (0.50) TYRO3ATRNTRK1
SCHEMBL3461509 0.87 ATR (0.50) TYRO3ATRNTRK1
SCHEMBL3460094 0.87 ATR (0.50) TYRO3ATRNTRK1
SCHEMBL3461869 0.86 NTRK1 (0.47) TYRO3ATRNTRK1
SCHEMBL3461384 0.86 NTRK1 (0.54) TYRO3ATRNTRK1
SCHEMBL3460025 0.86 NTRK1 (0.49) TYRO3ATRNTRK1
SCHEMBL3461468 0.85 NTRK1 (0.55) TYRO3ATRNTRK1

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
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP 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 TYRO3 790/4885ATR 556/4885ROCK2 739/4885

“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.