SCHEMBL3461892

SCHEMBL3461892

Nc1ncc(-c2cccc(CNC(=O)c3ccc(OC(F)(F)F)cc3)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.51
CHEK2 O96017 2/20 0.45
MET P08581 2/20 0.45
ROCK2 O75116 2/20 0.43
PKN2 Q16513 1/20 0.43
KIFC1 Q9BW19 1/20 0.43
CHRM3 P20309 1/20 0.42
ROCK1 Q13464 1/20 0.42
CHEK1 O14757 1/20 0.42
ATR Q13535 2/20 0.42
HTR2C P28335 1/20 0.42
MAPK14 Q16539 1/20 0.42
NTRK1 P04629 3/20 0.41

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
SCHEMBL3462788 0.94 TYRO3 (0.52) TYRO3KIFC1ATRHTR2CNTRK1
SCHEMBL3461080 0.92 TYRO3 (0.50) TYRO3KIFC1CHEK1ATRNTRK1
SCHEMBL3460381 0.91 TYRO3 (0.49) TYRO3ROCK2PKN2CHEK1ATR
SCHEMBL3459910 0.91 ROCK2 (0.50) TYRO3CHEK2METROCK2PKN2
SCHEMBL3462144 0.90 TYRO3 (0.48) TYRO3ROCK2PKN2ATRNTRK1
SCHEMBL3462047 0.90 TYRO3 (0.51) TYRO3KIFC1CHEK1ATRNTRK1
SCHEMBL3459997 0.89 TYRO3 (0.55) TYRO3CHEK2METKIFC1CHRM3
SCHEMBL3460676 0.89 ATR (0.50) TYRO3ROCK2PKN2ATR
SCHEMBL3461431 0.88 TYRO3 (0.48) TYRO3CHEK2METROCK2PKN2
SCHEMBL3462278 0.88 TYRO3 (0.48) TYRO3CHEK2METROCK2PKN2

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 3 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 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 790/4885CHEK2 61/4885MET 1293/4885

“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.