SCHEMBL4833628

SCHEMBL4833628

Cc1[nH]c2c(=O)n(C3CCN(c4nc5cccc(C(=O)O)c5s4)CC3)c(=O)[nH]c2c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.39
PARP1 P09874 6/20 0.37
TNKS O95271 5/20 0.37
PARP2 Q9UGN5 5/20 0.37
NAAA Q02083 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
DPP4 P27487 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4869652 0.90 KDM4E (0.38) PARP1TNKSPARP2NAAASMN1; SMN2
SCHEMBL4866189 0.79 ABCC2 (0.40)
SCHEMBL4874945 0.75 ITGAL (0.38) ITGALNAAASMN1; SMN2NPC1MITF
SCHEMBL4880761 0.71 HSD11B1 (0.34) ALDH1A1KDM4EHSD11B1NPSR1MEN1
SCHEMBL15122152 0.70
SCHEMBL3120602 0.68 ABCC2 (0.55)
SCHEMBL15122338 0.68 ABCC2 (0.55)
SCHEMBL5110960 0.68 ALDH1A1 (0.56) NAAASMN1; SMN2NPC1TP53RAB9A
SCHEMBL4837873 0.67 PLAT (0.36) ALDH1A1KDM4EDRD4PIK3CD
SCHEMBL4878363 0.66 MAPT (0.37) NAAATP53ALDH1A1KDM4EGAA

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 ITGAL 4755/4885PARP1 1138/4885TNKS 919/4885

“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.