SCHEMBL3461822

SCHEMBL3461822

CNC(=O)c1nc(-c2cccc(C(=O)N[C@@H]3CCc4ccccc43)c2)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.56
PIK3CD O00329 5/20 0.53
PIK3CA P42336 5/20 0.53
PIK3CG P48736 5/20 0.53
PIK3CB P42338 3/20 0.52
CFD P00746 2/20 0.50
LMNA P02545 1/20 0.48
HPGDS O60760 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ROCK2 O75116 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3461621 1.00 ATR (0.56) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460657 0.95 CFD (0.58) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3462527 0.95 CFD (0.58) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3462631 0.91 ATR (0.57) ATRCFDLMNAHPGDS
SCHEMBL3461268 0.91 ATR (0.57) ATRPIK3CDPIK3CAPIK3CGHPGDS
SCHEMBL14237314 0.90 ATR (0.49) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3462222 0.90 ATR (0.54) ATRCFDLMNAHPGDSPDE4A
SCHEMBL3461074 0.90 PIK3CD (0.48) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3461054 0.90 PIK3CD (0.48) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3461942 0.89 HPGDS (0.49) ATRPIK3CDPIK3CAPIK3CGPIK3CB

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 556/4885PIK3CD 375/4885PIK3CA 463/4885

“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.