SCHEMBL2294085

SCHEMBL2294085

CCOC(=O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccccc3Oc3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
PNLIP P16233 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CNR1 P21554 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NOTUM Q6P988 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
CYP1A2 P05177 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
SCHEMBL2295738 0.90 MEN1 (0.45) MAPTMAPK1PNLIPMEN1KMT2A
SCHEMBL2294337 0.87 FADS1 (0.43) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL12420933 0.85 MEN1 (0.44) MAPTMAPK1PNLIPMEN1KMT2A
SCHEMBL2295040 0.85 THRB (0.51) MAPTMEN1KMT2ALMNATP53
SCHEMBL2296414 0.83 MAPT (0.44) MAPTMEN1KMT2ALMNATP53
SCHEMBL2296390 0.83 MEN1 (0.45) MAPTMAPK1PNLIPMEN1KMT2A
SCHEMBL2294150 0.82 NPC1 (0.48) MAPTMEN1KMT2ALMNATP53
SCHEMBL2296285 0.81 NPC1 (0.46) MAPTMEN1KMT2ALMNATP53
SCHEMBL2293615 0.81 RAB9A (0.45) MAPTMEN1KMT2AGAANPC1
SCHEMBL2299707 0.80 NPC1 (0.46) MAPTMEN1KMT2ALMNATP53

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 5 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

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 MAPT 4745/4885MAPK1 1024/4885PNLIP 3934/4885

“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.