SCHEMBL3462663

SCHEMBL3462663

Nc1ncc(-c2cccc(CO)c2)nc1C(=O)N[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.51
ACVR1 Q04771 4/20 0.49
ACVR2A P27037 1/20 0.48
TGFBR2 P37173 1/20 0.48
TYRO3 Q06418 2/20 0.48

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
SCHEMBL3461148 0.93 ATR (0.51) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3460708 0.89 ATR (0.53) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3824904 0.88 USP30 (0.56) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL14314423 0.88 ATR (0.48) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3461414 0.85 ATR (0.55) ATRACVR2ATGFBR2TYRO3
SCHEMBL3461780 0.85 ATR (0.48) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3822598 0.82 ATR (0.57) ATR
SCHEMBL3461531 0.81 USP30 (0.56) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL13435409 0.81 ATR (0.47) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3461755 0.80 ATR (0.56) ATR

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 3 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 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 556/4885ACVR1 3787/4885ACVR2A 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.