SCHEMBL3459643

SCHEMBL3459643

Nc1ncc(-c2cccc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)c2)nc1C(=O)NC[C@H]1CCNC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 7/20 0.60
ATR Q13535 11/20 0.48
CHEK2 O96017 2/20 0.45
MET P08581 2/20 0.45

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
SCHEMBL3461131 1.00 TYRO3 (0.60) TYRO3ATRCHEK2MET
SCHEMBL3460374 0.88 ATR (0.55) TYRO3ATRCHEK2MET
SCHEMBL3459909 0.88 ATR (0.55) TYRO3ATRCHEK2MET
SCHEMBL3461771 0.87 TYRO3 (0.61) TYRO3ATRCHEK2MET
SCHEMBL3462127 0.87 TYRO3 (0.61) TYRO3ATRCHEK2MET
SCHEMBL3461018 0.85 ATR (0.53) TYRO3ATR
SCHEMBL3462030 0.85 ATR (0.53) TYRO3ATR
SCHEMBL3462575 0.85 ATR (0.51) TYRO3ATR
SCHEMBL3461644 0.85 ATR (0.51) TYRO3ATR
SCHEMBL3461993 0.84 ATR (0.53) TYRO3ATR

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 TYRO3 790/4885ATR 556/4885CHEK2 61/4885

“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.