SCHEMBL3461597

SCHEMBL3461597

Nc1ncc(-c2cccc(C(=O)NCc3cc(F)c(F)c(F)c3)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.54
ATR Q13535 5/20 0.48
TYRO3 Q06418 4/20 0.48
ACVR1 Q04771 1/20 0.44
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 0.44
ACVR2A P27037 1/20 0.44
TGFBR2 P37173 1/20 0.44

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
SCHEMBL3460360 0.95 TYRO3 (0.53) NTRK1ATRTYRO3ACVR1
SCHEMBL3460251 0.93 NTRK1 (0.54) NTRK1ATRTYRO3ACVR1NTRK3
SCHEMBL3839250 0.93 NTRK1 (0.54) NTRK1ATRTYRO3ACVR1NTRK3
SCHEMBL3460581 0.93 NTRK1 (0.53) NTRK1ATRTYRO3NTRK3NTRK2
SCHEMBL3460133 0.92 NTRK1 (0.53) NTRK1ATRTYRO3ACVR1NTRK3
SCHEMBL3460323 0.91 NTRK1 (0.48) NTRK1ATRTYRO3ACVR1NTRK3
SCHEMBL3461494 0.91 NTRK1 (0.52) NTRK1ATRTYRO3ACVR1NTRK3
SCHEMBL3460129 0.91 NTRK1 (0.51) NTRK1ATRTYRO3ACVR1NTRK3
SCHEMBL3461504 0.91 NTRK1 (0.52) NTRK1ATRTYRO3ACVR1ACVR2A
SCHEMBL3461440 0.91 ATR (0.55) ATRTYRO3ACVR1ACVR2ATGFBR2

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 504/4885ATR 556/4885TYRO3 790/4885

“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.