SCHEMBL6164474

SCHEMBL6164474

COc1cccc(Nc2nc3ccc(CC(=O)Nc4ccc([C@@H](C)CC(=O)O)cn4)cc3o2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
WNT3A P56704 1/20 0.41
RIOK2 Q9BVS4 2/20 0.40
USP2 O75604 1/20 0.40
GSK3A P49840 1/20 0.40
MAPK10 P53779 1/20 0.40
EGFR P00533 1/20 0.40
ERBB3 P21860 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39

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
SCHEMBL6163093 1.00 P2RY14 (0.42) P2RY14MEN1KMT2AMAPTRAB9A
SCHEMBL6164652 0.91 MAPT (0.41) P2RY14MEN1KMT2AMAPTRAB9A
SCHEMBL6164091 0.91 HSD17B10 (0.41) P2RY14MEN1KMT2ARAB9AGAA
SCHEMBL6165328 0.91 HSD17B10 (0.41) P2RY14MEN1KMT2ARAB9AGAA
SCHEMBL6162487 0.87 ITGA4 (0.46) MEN1KMT2AWNT3ATP53ITGB1
SCHEMBL6162500 0.87 ITGA4 (0.46) MEN1KMT2AWNT3ATP53ITGB1
SCHEMBL6170579 0.87 ITGB3 (0.39) MEN1KMT2ARAB9APOLBWNT3A
SCHEMBL6162294 0.86 KMT2A (0.45) P2RY14MEN1KMT2AMAPTRAB9A
SCHEMBL6167218 0.85 ITGA4 (0.41) MEN1KMT2AWNT3ATP53ITGB1
SCHEMBL6164661 0.85 MAPT (0.40) P2RY14MEN1KMT2AMAPTRAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183254-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LTD (GB) 2005-01-12 EP claimed
US-6706738-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMA LIMITED (GB) 2004-03-16 US claimed
US-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists AVENTIS PHARMA LIMITED (GB) 2002-11-21 US claimed
EP-1183254-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LTD (GB) 2005-01-12 EP disclosed
US-6706738-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMA LIMITED (GB) 2004-03-16 US disclosed
US-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists AVENTIS PHARMA LIMITED (GB) 2002-11-21 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-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists VCAM1, ITGA4, ITGA1 P2RY14 921/4885MEN1 4679/4885KMT2A 3089/4885

“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.