SCHEMBL3459709

SCHEMBL3459709

Nc1ncc(-c2cccc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)c2)nc1C(=O)NC1CCCNCC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.55
TYRO3 Q06418 8/20 0.55
ACVR2A P27037 1/20 0.45
TGFBR2 P37173 1/20 0.45
MAP4K4 O95819 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
SCHEMBL3461018 0.94 ATR (0.53) ATRTYRO3ACVR2ATGFBR2
SCHEMBL3462030 0.94 ATR (0.53) ATRTYRO3ACVR2ATGFBR2
SCHEMBL3459909 0.92 ATR (0.55) ATRTYRO3
SCHEMBL3460374 0.92 ATR (0.55) ATRTYRO3
SCHEMBL3461993 0.92 ATR (0.53) ATRTYRO3ACVR2ATGFBR2
SCHEMBL3461253 0.92 ATR (0.53) ATRTYRO3ACVR2ATGFBR2
SCHEMBL3461684 0.86 TYRO3 (0.57) ATRTYRO3ACVR2ATGFBR2MAP4K4
SCHEMBL3462406 0.84 ATR (0.54) ATRTYRO3
SCHEMBL3461613 0.84 ATR (0.54) ATRTYRO3
SCHEMBL3460297 0.84 ATR (0.54) ATRTYRO3

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 ATR 556/4885TYRO3 790/4885ACVR2A 2128/4885

“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.