SCHEMBL4878828

SCHEMBL4878828

CCOC(=O)c1cnc(N2CCC(N3CCCc4c([nH]c(C)c4Cl)C3=O)CC2)s1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
TNK2 Q07912 1/20 0.44
TNK1 Q13470 1/20 0.44
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
OGA O60502 2/20 0.40
ABCC2 Q92887 1/20 0.38

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
SCHEMBL4874984 0.89 ABCC2 (0.46) ABCC2
SCHEMBL4869669 0.84 PARP1 (0.44) PARP1TNK2TNK1OGA
SCHEMBL4870095 0.76 PIK3CD (0.43) ABCC2
SCHEMBL4792596 0.75 ABCC2 (0.33) ABCC2
SCHEMBL4791760 0.75 BAZ2A (0.38) PARP1TNK2TNK1OGA
SCHEMBL4876224 0.74 PIK3CA (0.42)
SCHEMBL4868542 0.73 HRH3 (0.38)
SCHEMBL31281641 0.70 HRH3 (0.53) PARP1TNK2TNK1CCNT1CDK9
Hydrochloric Acid SCHEMBL4790235 0.69 TP53 (0.39) PARP1
SCHEMBL5334339 0.69 OGA (0.55) PARP1TNK2TNK1CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US claimed
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP PARP1 1138/4885TNK2 2180/4885TNK1 2626/4885

“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.