SCHEMBL4325828

SCHEMBL4325828

NC(=O)c1nc(-c2ccc3ncncc3c2)sc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
PIK3CA P42336 1/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NAMPT P43490 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
TDO2 P48775 1/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
FYN P06241 1/20 0.36
GRK5 P34947 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 1/20 0.36
APP P05067 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
SCHEMBL4325835 0.82 PIK3CD (0.43) PIK3CDPIK3CAPTGDR2NAMPTTDO2
SCHEMBL4316571 0.74 PIK3CD (0.43) PIK3CDPIK3CANAMPTTDO2EGFR
SCHEMBL4316563 0.74 PIK3CD (0.43) PIK3CDPIK3CANAMPTTDO2EGFR
SCHEMBL4325902 0.72 PIK3CD (0.41) PIK3CDPIK3CANAMPTTDO2EGFR
SCHEMBL4331608 0.71 PIK3CD (0.40) PIK3CDPIK3CANAMPTTDO2EGFR
SCHEMBL27893740 0.70 PIK3CD (0.54) PIK3CDPIK3CATDO2FYNEGFR
SCHEMBL4341809 0.69 SMN1; SMN2 (0.45) PIK3CDPIK3CANAMPTTDO2POLB
SCHEMBL29649950 0.67 EGFR (0.56) PIK3CDPIK3CANAMPTEGFR
SCHEMBL5676295 0.67 EGFR (0.56) PIK3CDPIK3CANAMPTEGFR
SCHEMBL18839654 0.67 KDR (0.44) HPGDTBK1ALDH1A1

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 2244/4885PTGDR2 507/4885

“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.