SCHEMBL4870095

SCHEMBL4870095

Cc1nc(N2CCC(N3CCCc4c([nH]c(C)c4Cl)C3=O)CC2)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
ABCC2 Q92887 2/20 0.35

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
SCHEMBL4792596 0.88 ABCC2 (0.33) PIK3CDPIK3CAPIK3CBABCC2
SCHEMBL4874984 0.83 ABCC2 (0.46) ABCC2
SCHEMBL4791760 0.83 BAZ2A (0.38)
SCHEMBL4876224 0.78 PIK3CA (0.42) PIK3CA
SCHEMBL4878828 0.76 PARP1 (0.44) ABCC2
Hydrochloric Acid SCHEMBL4790235 0.72 TP53 (0.39)
SCHEMBL4868542 0.70 HRH3 (0.38) PIK3CA
SCHEMBL3280848 0.69 ABCC2 (0.55) ABCC2
SCHEMBL13787617 0.68 PIK3CD (0.74) PIK3CDPIK3CAPIK3CB
SCHEMBL16404868 0.67 PIK3CD (0.72) PIK3CDPIK3CAPIK3CB

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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US 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 PIK3CD 465/4885PIK3CA 494/4885PIK3CB 691/4885

“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.