SCHEMBL4331605

SCHEMBL4331605

NC(=O)c1cccc(-c2ccc3nc(F)ncc3c2)c1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PLA2G2A P14555 8/20 0.39
PLA2G10 O15496 7/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.38
LCK P06239 2/20 0.38
KDR P35968 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK14 Q16539 1/20 0.38
HSP90AA1 P07900 2/20 0.38
GRM2 Q14416 2/20 0.37
BRS3 P32247 1/20 0.37
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
PLA2G12B Q9BX93 1/20 0.36
PLA2G12A Q9BZM1 1/20 0.36
PLA2G2F Q9BZM2 1/20 0.36
PLA2G3 Q9NZ20 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
SCHEMBL4325897 0.88 LCK (0.42) PARP1ALOX5APPLA2G2APLA2G10SLCO1B1
SCHEMBL4316571 0.85 PIK3CD (0.43) PARP1PLA2G2APLA2G10SLCO1B1HSP90AA1
SCHEMBL4331599 0.84 PARP1 (0.40) PARP1PLA2G2APLA2G10GRM2
SCHEMBL13571399 0.73 HTT (0.50) PARP1PLA2G2APLA2G10JAK3
SCHEMBL4331608 0.72 PIK3CD (0.40) GRM2
SCHEMBL4325889 0.72 CHEK2 (0.40) PARP1LCKKDRJAK3MAPK14
SCHEMBL5498386 0.71 MAP4K1 (0.50) ALOX5APFEN1LCKKDRJAK3
SCHEMBL27837954 0.69 PLA2G2A (0.47) PARP1FEN1PLA2G2APLA2G10SLCO1B1
SCHEMBL4325902 0.69 PIK3CD (0.41)
SCHEMBL4316563 0.68 PIK3CD (0.43) PARP1PLA2G2APLA2G10

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 PARP1 4537/4885ALOX5AP 2326/4885FEN1 4723/4885

“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.