SCHEMBL6163902

SCHEMBL6163902

COc1ccccc1Nc1nc2ccc(CC(=O)CNc3ccc(C(C)CC(=O)O)cn3)cc2o1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
TYK2 P29597 5/20 0.41
JAK3 P52333 5/20 0.41
ITGA4 P13612 8/20 0.39
ITGB1 P05556 2/20 0.39
ABL1 P00519 1/20 0.36
INSR P06213 1/20 0.35
ALK Q9UM73 1/20 0.35
GALK1 P51570 3/20 0.35
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MAPK1 P28482 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
SCHEMBL6164422 0.91 TP53 (0.39) ITGA4ITGB1INSRALK
SCHEMBL6162487 0.91 ITGA4 (0.46) JAK2JAK1TYK2JAK3ITGA4
SCHEMBL6162500 0.91 ITGA4 (0.46) JAK2JAK1TYK2JAK3ITGA4
SCHEMBL6164207 0.89 ITGA4 (0.38) ITGA4ITGB1GALK1
SCHEMBL6161780 0.89 NPC1 (0.40) JAK2JAK1TYK2JAK3ITGA4
SCHEMBL6163261 0.87 SLC22A12 (0.37) ITGA4ITGB1GALK1FLT1FLT4
SCHEMBL6164652 0.87 MAPT (0.41) GALK1
SCHEMBL6161757 0.87 ITGA4 (0.40) ITGA4ITGB1GALK1
SCHEMBL6163435 0.86 ITGA4 (0.38) JAK2JAK1TYK2JAK3ITGA4
SCHEMBL6163906 0.85 ITGA4 (0.40) JAK2JAK1TYK2JAK3ITGA4

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 JAK2 2258/4885JAK1 2537/4885TYK2 1994/4885

“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.