SCHEMBL4331608

SCHEMBL4331608

NC(=O)c1ccc(F)c(-c2ccc3ncncc3c2)c1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
RPS6KB1 P23443 7/20 0.39
AKT1 P31749 6/20 0.39
NAMPT P43490 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
FGFR4 P22455 1/20 0.36
PDPK1 O15530 1/20 0.36
CDC7 O00311 2/20 0.36
TDO2 P48775 1/20 0.36
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
GSK3B P49841 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL4325902 0.89 PIK3CD (0.41) PIK3CDPIK3CARPS6KB1AKT1NAMPT
SCHEMBL4316571 0.82 PIK3CD (0.43) PIK3CDPIK3CARPS6KB1AKT1NAMPT
SCHEMBL4316563 0.81 PIK3CD (0.43) PIK3CDPIK3CARPS6KB1AKT1NAMPT
SCHEMBL4331605 0.72 PARP1 (0.40) GRM2
SCHEMBL4325835 0.72 PIK3CD (0.43) PIK3CDPIK3CANAMPTTDO2GPR52
SCHEMBL4325828 0.71 PIK3CD (0.42) PIK3CDPIK3CANAMPTCYP1A2CYP2C9
SCHEMBL4331599 0.69 PARP1 (0.40) CDC7GRM2
SCHEMBL5495693 0.68 MKNK1 (0.46) PIK3CDPIK3CARPS6KB1AKT1FGFR4
SCHEMBL31031995 0.68 PIK3CD (0.47) PIK3CDPIK3CAFGFR4PDPK1TDO2
SCHEMBL4325897 0.67 LCK (0.42)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 PIK3CD 1880/4885PIK3CA 2244/4885RPS6KB1 906/4885

“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.