SCHEMBL3460397

SCHEMBL3460397

Nc1ncc(-c2cccc(CN[C@H]3CCc4ccccc43)c2)nc1C(=O)NC1CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.52
TYRO3 Q06418 3/20 0.51
ACVR1 Q04771 6/20 0.49
ACVR2A P27037 1/20 0.46
TGFBR2 P37173 1/20 0.46
CFD P00746 2/20 0.43

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
SCHEMBL3461836 0.96 ACVR2A (0.52) ATRTYRO3ACVR1ACVR2ATGFBR2
SCHEMBL3460353 0.96 ACVR2A (0.52) ATRTYRO3ACVR1ACVR2ATGFBR2
SCHEMBL3460717 0.92 ATR (0.48) ATRCFD
SCHEMBL3462010 0.91 TYRO3 (0.51) ATRTYRO3ACVR1
SCHEMBL3462634 0.91 ATR (0.47) ATRTYRO3CFD
SCHEMBL3461941 0.91 PIK3CD (0.51) ATR
SCHEMBL13401171 0.91 PIK3CD (0.51) ATR
SCHEMBL3461708 0.91 PIK3CD (0.51) ATR
SCHEMBL3461157 0.90 ATR (0.48) ATRTYRO3
SCHEMBL3461867 0.90 ATR (0.45) ATRCFD

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 790/4885ACVR1 3787/4885

“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.