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.