SCHEMBL4331599

SCHEMBL4331599

NC(=O)c1cccc(Cc2ccccc2)c1-c1ccc2nc(F)ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.40
CHEK2 O96017 2/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
PPARG P37231 1/20 0.35
CDC7 O00311 1/20 0.35
PLA2G2A P14555 3/20 0.34
PLA2G10 O15496 2/20 0.34
GRM2 Q14416 2/20 0.34
DHODH Q02127 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL4325889 0.88 CHEK2 (0.40) PARP1CHEK2NR1H2NR1H3PPARG
SCHEMBL4316563 0.84 PIK3CD (0.43) PARP1CHEK2CDC7PLA2G2APLA2G10
SCHEMBL4331605 0.84 PARP1 (0.40) PARP1PLA2G2APLA2G10GRM2
SCHEMBL4325897 0.73 LCK (0.42) PARP1PLA2G2APLA2G10
SCHEMBL13571397 0.72 CYP11B1 (0.51) PARP1CDC7DHODH
SCHEMBL23647305 0.70 NOTUM (0.43) PARP1PPARGCDC7PLA2G2APLA2G10
SCHEMBL4316571 0.69 PIK3CD (0.43) PARP1CDC7PLA2G2APLA2G10
SCHEMBL4331608 0.69 PIK3CD (0.40) CDC7GRM2
SCHEMBL28256484 0.69 PLA2G2A (0.47) PARP1PLA2G2APLA2G10CA1CA2
SCHEMBL27710607 0.68 SIRT2 (0.43) PARP1

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 4537/4885CHEK2 3823/4885NR1H2 428/4885

“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.