SCHEMBL4792240

SCHEMBL4792240

Cc1[nH]c2c(=O)n(C3CCN(c4cc(C(=O)O)ccn4)CC3)ccc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.43
KDM4C Q9H3R0 9/20 0.42
KDM5A P29375 7/20 0.42
KDM2B Q8NHM5 5/20 0.42
KDM5B Q9UGL1 5/20 0.39
KDM4A O75164 4/20 0.38
MCL1 Q07820 1/20 0.37
SCD O00767 1/20 0.37
PROKR1 Q8TCW9 4/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 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
SCHEMBL4869961 0.90 PIK3CA (0.51) PIK3CAPROKR1DPP4
SCHEMBL4764944 0.82 SCD (0.33) SCD
SCHEMBL4880729 0.76 PTGER1 (0.39)
SCHEMBL4868563 0.74 ABCC2 (0.45)
SCHEMBL4876224 0.74 PIK3CA (0.42) PIK3CAKDM4CKDM5AKDM2BKDM5B
SCHEMBL4874945 0.73 ITGAL (0.38)
SCHEMBL3738805 0.69 PIK3CA (0.65) PIK3CAKDM4CKDM5AKDM2BKDM5B
SCHEMBL16966428 0.69 PIK3CA (0.65) PIK3CAKDM4CKDM5AKDM2BKDM5B
SCHEMBL12552657 0.69 PIK3CA (0.60) PIK3CAKDM4CKDM5AKDM2BKDM5B
SCHEMBL3743262 0.68 PIK3CA (0.67) PIK3CAKDM4CKDM5AKDM2BKDM5B

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 PIK3CA 494/4885KDM4C 2021/4885KDM5A 1159/4885

“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.