SCHEMBL6165451

SCHEMBL6165451

CC(CC(=O)O)c1ccc(NC(=O)Cc2ccc3nc(Nc4ccccn4)oc3c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GALK1 P51570 4/20 0.41
WNT3A P56704 4/20 0.38
RIOK2 Q9BVS4 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CSNK1D P48730 1/20 0.37
ITGB1 P05556 3/20 0.37
ITGA4 P13612 3/20 0.37
MAPK8 P45983 1/20 0.36
GSK3A P49840 1/20 0.36
MAPK10 P53779 1/20 0.36
HIPK1 Q86Z02 1/20 0.36
SNRK Q9NRH2 1/20 0.36
DEGS1 O15121 1/20 0.36

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
SCHEMBL6164091 0.91 HSD17B10 (0.41) KMT2AMEN1GALK1HSD17B10CSNK1D
SCHEMBL6165328 0.91 HSD17B10 (0.41) KMT2AMEN1GALK1HSD17B10CSNK1D
SCHEMBL6164820 0.88 ITGA4 (0.47) KMT2AMEN1GALK1ITGB1ITGA4
SCHEMBL6165099 0.87 ITGA4 (0.39) KMT2AMEN1GALK1RIOK2HSD17B10
SCHEMBL6165027 0.87 GALK1 (0.44) GALK1CSNK1DITGB1ITGA4
SCHEMBL6165024 0.87 GALK1 (0.44) GALK1CSNK1DITGB1ITGA4
SCHEMBL6170579 0.87 ITGB3 (0.39) KMT2AMEN1GALK1WNT3AHSD17B10
SCHEMBL6167218 0.87 ITGA4 (0.41) KMT2AMEN1GALK1WNT3AHSD17B10
SCHEMBL6165464 0.86 HSD17B10 (0.37) KMT2AMEN1GALK1RIOK2HSD17B10
SCHEMBL6162487 0.86 ITGA4 (0.46) KMT2AMEN1GALK1WNT3AHSD17B10

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 5 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 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
EP-1183254-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS Aventis Pharma Limited (GB) 2002-03-06 EP disclosed
WO-2000061580-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LIMITED (GB) 2000-10-19 WO 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 KMT2A 3089/4885MEN1 4679/4885SLC6A2 2451/4885

“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.