SCHEMBL2294472

SCHEMBL2294472

CCOC(=O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(NC(=N)N)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 4/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
F10 P00742 5/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F9 P00740 3/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL2297316 0.94 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2299707 0.93 NPC1 (0.46) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL2291209 0.91 KDM4E (0.45) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL2300721 0.89 F10 (0.44) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL12420209 0.89 F10 (0.44) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2299091 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2295133 0.86 LMNA (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2292440 0.86 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2294150 0.84 NPC1 (0.48) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL12420942 0.84 F10 (0.42) NPC1RAB9ASMN1; SMN2MAPTTP53

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 6 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 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 1893/4885SMN1; SMN2 2159/4885

“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.