SCHEMBL4869961

SCHEMBL4869961

CCOC(=O)c1ccnc(N2CCC(n3ccc4c(Cl)c(C)[nH]c4c3=O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.51
JMJD6 Q6NYC1 5/20 0.39
HRH3 Q9Y5N1 3/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
SLC11A2 P49281 1/20 0.35
PROKR1 Q8TCW9 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 1/20 0.34
CCR3 P51677 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL4792240 0.90 PIK3CA (0.43) PIK3CAPROKR1DPP4
SCHEMBL4879470 0.79 OGA (0.42) HRH3ALDH1A1MAPK1MAPTHTT
SCHEMBL6949764 0.75 PIK3CA (0.70) PIK3CAJMJD6HRH3ALDH1A1MAPK1
SCHEMBL15121873 0.71 PIK3CA (0.46) PIK3CA
SCHEMBL1516956 0.70 PIK3CA (0.75) PIK3CAJMJD6ALDH1A1MAPK1KDM4E
SCHEMBL15121683 0.69 ABCC2 (0.57)
SCHEMBL7078995 0.66 PIK3CA (0.59) PIK3CAJMJD6HRH3ALDH1A1MAPK1
SCHEMBL15121747 0.66 PIK3CA (0.46) PIK3CAJMJD6HRH3ALDH1A1P2RY12
SCHEMBL25386009 0.66 CHIA (0.73)
SCHEMBL17263330 0.66 PIK3CA (0.61) PIK3CAJMJD6ALDH1A1MAPK1SLC11A2

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 PIK3CA 494/4885JMJD6 3317/4885HRH3 3006/4885

“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.