SCHEMBL4325835

SCHEMBL4325835

NC(=O)c1nc(Cc2ccccc2)sc1-c1ccc2ncncc2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
GPR52 Q9Y2T5 14/20 0.41
NAMPT P43490 1/20 0.38
TDO2 P48775 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL4325828 0.82 PIK3CD (0.42) PIK3CDPIK3CANAMPTTDO2PTGDR2
SCHEMBL4316571 0.74 PIK3CD (0.43) PIK3CDPIK3CANAMPTTDO2EGFR
SCHEMBL4316563 0.74 PIK3CD (0.43) PIK3CDPIK3CANAMPTTDO2EGFR
SCHEMBL4325902 0.73 PIK3CD (0.41) PIK3CDPIK3CAGPR52NAMPTTDO2
SCHEMBL4331608 0.72 PIK3CD (0.40) PIK3CDPIK3CAGPR52NAMPTTDO2
SCHEMBL4341809 0.69 SMN1; SMN2 (0.45) PIK3CDPIK3CANAMPTTDO2
SCHEMBL27893740 0.68 PIK3CD (0.54) PIK3CDPIK3CATDO2EGFR
SCHEMBL20687402 0.67 PIK3CD (0.73) PIK3CDPIK3CATDO2EGFR
SCHEMBL4341802 0.67 FYN (0.39) PIK3CDPIK3CANAMPTEGFR
SCHEMBL4312104 0.66 EPHX1 (0.54) PIK3CDPIK3CANAMPTEGFR

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 2244/4885GPR52 104/4885

“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.