SCHEMBL2293477

SCHEMBL2293477

N#Cc1cccc(C(=O)Nc2ccc3ncn(C(CC(=O)O)c4ccccc4)c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.44
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
GRM5 P41594 2/20 0.42
MAPK14 Q16539 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
PDE10A Q9Y233 2/20 0.41
NAMPT P43490 1/20 0.41
BRAF P15056 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
GRM4 Q14833 1/20 0.40
S1PR3 Q99500 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
SCHEMBL2294356 0.93 NPC1 (0.46) HPSEF2PLGPLAUKLKB1
SCHEMBL2294898 0.91 NPC1 (0.47) F2PLGPLAUKLKB1PRSS1
SCHEMBL2294478 0.89 NPC1 (0.48) PLAUGRM4
SCHEMBL2296333 0.87 NPC1 (0.41) F2PLAUGRM5GRM4
SCHEMBL2296523 0.86 NPC1 (0.54)
SCHEMBL2294506 0.86 CBLB (0.42) PLAU
SCHEMBL2298655 0.86 RAB9A (0.48)
SCHEMBL2299812 0.85 NPC1 (0.45) PLAU
SCHEMBL2296401 0.84 ITGB3 (0.45) F2PRSS1
SCHEMBL2299632 0.84 KCNK3 (0.51) BRAF

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 HPSE 745/4885F2 1153/4885PLG 1411/4885

“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.