SCHEMBL3461091

SCHEMBL3461091

Nc1ncc(-c2cccc(C(=O)NCc3c(F)cccc3Cl)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.53
TYRO3 Q06418 3/20 0.46
ATR Q13535 5/20 0.46
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
MET P08581 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
SCHEMBL3462387 0.98 NTRK1 (0.51) NTRK1TYRO3ATRNTRK3NTRK2
SCHEMBL3461127 0.95 TYRO3 (0.51) NTRK1TYRO3ATRMET
SCHEMBL3461504 0.95 NTRK1 (0.52) NTRK1TYRO3ATR
SCHEMBL3462217 0.93 NTRK1 (0.50) NTRK1TYRO3ATRNTRK3NTRK2
SCHEMBL3461408 0.93 NTRK1 (0.49) NTRK1TYRO3ATRNTRK3NTRK2
SCHEMBL3461198 0.93 NTRK1 (0.50) NTRK1TYRO3ATR
SCHEMBL3460091 0.91 TYRO3 (0.48) NTRK1TYRO3ATR
SCHEMBL3461705 0.91 NTRK1 (0.48) NTRK1TYRO3ATRNTRK3NTRK2
SCHEMBL3461272 0.90 NTRK1 (0.47) NTRK1TYRO3ATRNTRK3NTRK2
SCHEMBL3459843 0.90 TYRO3 (0.46) NTRK1TYRO3ATRNTRK3NTRK2

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 5 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
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US 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 NTRK1 504/4885TYRO3 790/4885ATR 556/4885

“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.