SCHEMBL4791760

SCHEMBL4791760

Cc1[nH]c2c(c1Cl)CCCN(C1CCN(c3nc(C(=O)O)cs3)CC1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BAZ2A Q9UIF9 6/20 0.38
▸ LDHA P00338 1/20 0.36
▸ PTGER1 P34995 3/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ OGA O60502 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ TNK1 Q13470 1/20 0.32

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
SCHEMBL4869669 0.89 PARP1 (0.44) BAZ2AHRH3OGAPARP1TNK2
SCHEMBL4870095 0.83 PIK3CD (0.43) —
SCHEMBL4874984 0.82 ABCC2 (0.46) —
SCHEMBL4876224 0.77 PIK3CA (0.42) HRH3
SCHEMBL4878828 0.75 PARP1 (0.44) OGAPARP1TNK2TNK1
SCHEMBL4792596 0.75 ABCC2 (0.33) —
SCHEMBL4880729 0.72 PTGER1 (0.39) LDHAPTGER1HRH3OGA
Hydrochloric Acid SCHEMBL4790235 0.72 TP53 (0.39) BAZ2APARP1
SCHEMBL4868542 0.71 HRH3 (0.38) HRH3
SCHEMBL3281403 0.70 — —

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 3 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
EP-1991545-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES AstraZeneca AB (SE) 2008-11-19 — — EP claimed
WO-2007071965-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES ASTRAZENECA AB (SE) 2007-06-28 — — WO claimed

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 BAZ2A 2699/4885LDHA 1120/4885PTGER1 915/4885

“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.

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