SCHEMBL2294898

SCHEMBL2294898

N#Cc1ccc(C(=O)Nc2ccc3ncn(C(CC(=O)O)c4ccccc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
IDO1 P14902 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MLLT1 Q03111 1/20 0.41
NAMPT P43490 1/20 0.41
LRRK2 Q5S007 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL2294394 0.93 NPC1 (0.47) NPC1RAB9AMEN1KMT2AF2
SCHEMBL2293477 0.91 HPSE (0.44) F2PLGPLAUKLKB1PRSS1
SCHEMBL2294478 0.90 NPC1 (0.48) NPC1RAB9AMEN1KMT2APLAU
SCHEMBL2299812 0.89 NPC1 (0.45) NPC1RAB9AMEN1KMT2APLAU
SCHEMBL2299394 0.89 F2 (0.44) NPC1RAB9AMEN1KMT2AF2
SCHEMBL2297005 0.88 MAPT (0.49) NPC1RAB9AMEN1KMT2AIDO1
SCHEMBL2292564 0.88 NPC1 (0.51) NPC1RAB9AMEN1KMT2APTGDR2
SCHEMBL2297422 0.88 KMT2A (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2296047 0.88 NPC1 (0.42) NPC1RAB9AMEN1KMT2APLAU
SCHEMBL2295384 0.87 KCNK3 (0.46) NPC1RAB9AMEN1KMT2AMAPT

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 4 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

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 1893/4885MEN1 2656/4885

“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.