SCHEMBL3459997

SCHEMBL3459997

Nc1ncc(-c2cccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)c2)nc1C(=O)N[C@H]1CCNC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 9/20 0.55
HTR2C P28335 2/20 0.49
KIFC1 Q9BW19 2/20 0.47
ATR Q13535 4/20 0.46
CHEK2 O96017 1/20 0.46
MET P08581 1/20 0.46
KIF11 P52732 1/20 0.45
ABL1 P00519 1/20 0.44
CHRM3 P20309 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
SCHEMBL3462788 0.96 TYRO3 (0.52) TYRO3HTR2CKIFC1ATRABL1
SCHEMBL3460441 0.90 TYRO3 (0.54) TYRO3ATRCHEK2MET
SCHEMBL3461892 0.89 TYRO3 (0.51) TYRO3HTR2CKIFC1ATRCHEK2
SCHEMBL3460391 0.88 ATR (0.56) TYRO3ATRCHEK2MET
SCHEMBL3462250 0.88 ATR (0.56) TYRO3ATRCHEK2MET
SCHEMBL3460973 0.88 TYRO3 (0.54) TYRO3ATRCHEK2MET
SCHEMBL14237240 0.86 TYRO3 (0.50) TYRO3ATRCHEK2MET
SCHEMBL3462011 0.86 TYRO3 (0.50) TYRO3ATRCHEK2MET
SCHEMBL3460843 0.86 TYRO3 (0.54) TYRO3ATRCHEK2MET
SCHEMBL3460360 0.86 TYRO3 (0.53) TYRO3ATRCHEK2MET

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 7 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
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO 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 790/4885HTR2C 77/4885KIFC1 3631/4885

“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.