SCHEMBL3040436

SCHEMBL3040436

Cc1cccc2c(=O)[nH]c(-n3cccn3)nc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.56
TNKS O95271 12/20 0.50
TNKS2 Q9H2K2 12/20 0.50
PARP2 Q9UGN5 6/20 0.50
PARP14 Q460N5 2/20 0.46
PARP11 Q9NR21 1/20 0.46

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
SCHEMBL3025074 0.84 PARP1 (0.54) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL3035403 0.84 KDM4A (0.41) PARP1TNKSTNKS2PARP2
SCHEMBL3040246 0.84 PARP1 (0.43) PARP1TNKSTNKS2PARP2
SCHEMBL3039605 0.81 EGLN1 (0.43) PARP1TNKSTNKS2PARP2
SCHEMBL10638241 0.80 PARP1 (0.55) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL3030437 0.77 HTR3A (0.52) PARP1TNKSTNKS2PARP2
SCHEMBL3035787 0.75 EGLN1 (0.64) PARP1
SCHEMBL3031131 0.75 PARP1 (0.41) PARP1TNKSTNKS2
SCHEMBL3026678 0.75 TUBB4A (0.48) PARP1PARP14
SCHEMBL15693161 0.74 SPR (0.42) TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937078-B2 Quinazolinones as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US disclosed
US-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US disclosed
EP-0161418-B1 ANTIMICROBIAL AGENTS CONTAINING 2-(1H-PYRAZOL-1-YL)-4-(3H)-QUINAZOLINONES BAYER AG (DE) 1988-09-07 EP disclosed
US-4644000-A FUNGICIDES, BACTERICIDES, SLIMICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-02-17 US disclosed
EP-0161418-A1 Antimicrobial agents containing 2-(1H-pyrazol-1-yl)-4-(3H)-quinazolinones BAYER AG (DE) 1985-11-21 EP 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-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, EGLN3, EGLN2 PARP1 637/4885TNKS 984/4885TNKS2 1259/4885

“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.