SCHEMBL2297316

SCHEMBL2297316

CCOC(=O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cccc(NC(=N)N)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 9/20 0.41
KHK P50053 1/20 0.40
F10 P00742 2/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 2/20 0.39
ABCB1 P08183 1/20 0.39
HTT P42858 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
F9 P00740 1/20 0.38
PLAU P00749 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 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
SCHEMBL2299091 0.94 NPC1 (0.44) NPC1KMT2AMEN1MAPTKHK
SCHEMBL2294472 0.94 NPC1 (0.41) NPC1KMT2AMEN1MAPTF10
SCHEMBL2292440 0.90 MAPT (0.41) NPC1KMT2AMEN1MAPTTP53
SCHEMBL2296401 0.89 ITGB3 (0.45) NPC1KMT2AMEN1MAPTKHK
SCHEMBL12420946 0.89 KHK (0.44) NPC1KMT2AMEN1MAPTKHK
SCHEMBL2299707 0.87 NPC1 (0.46) NPC1KMT2AMEN1MAPTF10
SCHEMBL2291209 0.86 KDM4E (0.45) NPC1MAPTTP53POLBTHRB
SCHEMBL2295703 0.85 MEN1 (0.54) NPC1KMT2AMEN1MAPTTHRB
SCHEMBL12420304 0.84 KHK (0.39) NPC1KMT2AMEN1MAPTKHK
SCHEMBL2296285 0.83 NPC1 (0.46) NPC1KMT2AMEN1MAPTTP53

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 disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US 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

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 2770/4885KMT2A 3680/4885MEN1 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.