SCHEMBL2296240

SCHEMBL2296240

N=C(N)Nc1cccc(C(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.46
RAB9A P51151 9/20 0.46
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
ITGAV P06756 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
KHK P50053 1/20 0.39
TP53 P04637 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2296401 0.93 ITGB3 (0.45) NPC1RAB9AITGB3ITGA2BSMN1; SMN2
SCHEMBL2297559 0.93 NPC1 (0.47) NPC1RAB9AITGB3ITGA2BSMN1; SMN2
SCHEMBL12419733 0.91 NPC1 (0.48) NPC1RAB9AITGB3ITGA2BSMN1; SMN2
SCHEMBL12420302 0.90 NPC1 (0.44) NPC1RAB9AITGB3ITGA2BSMN1; SMN2
SCHEMBL2299091 0.89 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2295674 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2292708 0.88 NPC1 (0.48) NPC1RAB9AITGB3ITGA2BSMN1; SMN2
SCHEMBL2298695 0.86 RAB9A (0.48) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2298685 0.86 NPC1 (0.48) NPC1RAB9AITGB3ITGA2BSMN1; SMN2
SCHEMBL2291378 0.86 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNAKMT2A

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 10 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
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 NPC1 2770/4885RAB9A 1893/4885ITGB3 10/4885

“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.