SCHEMBL3462503

SCHEMBL3462503

Nc1ncc(-c2cccc(C(=O)NCc3cc(C(F)(F)F)ccc3Cl)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CG P48736 2/20 0.46
TYRO3 Q06418 3/20 0.44
ATR Q13535 5/20 0.44
NTRK1 P04629 10/20 0.43
NTRK3 Q16288 2/20 0.42
NTRK2 Q16620 2/20 0.42
PIK3CB P42338 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
SCHEMBL3461753 0.92 NTRK1 (0.46) PIK3CDPIK3CAPIK3CGTYRO3ATR
SCHEMBL3460695 0.91 NTRK1 (0.46) PIK3CDPIK3CAPIK3CGTYRO3ATR
SCHEMBL3462076 0.91 TYRO3 (0.47) TYRO3ATRNTRK1NTRK3NTRK2
SCHEMBL3460094 0.89 ATR (0.50) TYRO3ATRNTRK1NTRK3NTRK2
SCHEMBL3461400 0.88 NTRK1 (0.47) TYRO3ATRNTRK1NTRK3NTRK2
SCHEMBL3460556 0.87 NTRK1 (0.51) TYRO3ATRNTRK1NTRK3NTRK2
SCHEMBL3460807 0.87 TYRO3 (0.48) TYRO3ATRNTRK1NTRK3NTRK2
SCHEMBL3460806 0.86 NTRK1 (0.52) TYRO3ATRNTRK1NTRK3NTRK2
SCHEMBL14238402 0.86 TYRO3 (0.47) TYRO3ATRNTRK1NTRK3NTRK2
SCHEMBL3459730 0.86 TYRO3 (0.47) TYRO3ATRNTRK1NTRK3NTRK2

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 PIK3CD 375/4885PIK3CA 463/4885PIK3CG 477/4885

“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.