SCHEMBL3460657

SCHEMBL3460657

CNC(=O)c1nc(-c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)cnc1N

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.58
LMNA P02545 1/20 0.56
ATR Q13535 4/20 0.55
TAS1R3 Q7RTX0 3/20 0.54
TAS1R1 Q7RTX1 3/20 0.54
TAS1R2 Q8TE23 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
PIK3CD O00329 3/20 0.52
PIK3CA P42336 3/20 0.52
PIK3CG P48736 3/20 0.52
PIK3CB P42338 2/20 0.51

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
SCHEMBL3462527 1.00 CFD (0.58) CFDLMNAATRTAS1R3TAS1R1
SCHEMBL3461822 0.95 ATR (0.56) CFDLMNAATRMEN1KMT2A
SCHEMBL3461621 0.95 ATR (0.56) CFDLMNAATRMEN1KMT2A
SCHEMBL3461268 0.85 ATR (0.57) ATRHTTALDH1A1PIK3CDPIK3CA
SCHEMBL3462631 0.85 ATR (0.57) CFDLMNAATRTAS1R3TAS1R1
SCHEMBL3460741 0.85 PIK3CD (0.49) CFDATRPIK3CDPIK3CAPIK3CG
SCHEMBL14237314 0.85 ATR (0.49) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3462222 0.85 ATR (0.54) CFDLMNAATRTAS1R3TAS1R1
SCHEMBL3461054 0.84 PIK3CD (0.48) ATRTAS1R3TAS1R1TAS1R2PIK3CD
SCHEMBL3461074 0.84 PIK3CD (0.48) ATRTAS1R3TAS1R1TAS1R2PIK3CD

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 CFD 4879/4885LMNA 3773/4885ATR 556/4885

“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.