SCHEMBL2299706

SCHEMBL2299706

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cccnc3Oc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
MAPK8 P45983 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
KDR P35968 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL5297031 0.94 GAA (0.49) KMT2AMAPK8ALDH1A1POLBGAA
SCHEMBL5300651 0.93 KMT2A (0.52) KMT2AMAPK8ALDH1A1POLBITGB1
SCHEMBL12420191 0.90 KMT2A (0.50) KMT2AMAPK8ALDH1A1POLBITGB1
SCHEMBL2295738 0.89 MEN1 (0.45) KMT2AALDH1A1GAAMAPT
SCHEMBL5295326 0.88 GAA (0.49) KMT2AMAPK8ALDH1A1POLBGAA
SCHEMBL5292979 0.87 RAB9A (0.43) KMT2AALDH1A1POLBGAAMAPT
SCHEMBL2295816 0.84 RAB9A (0.45) KMT2AALDH1A1POLB
SCHEMBL2292746 0.84 RAB9A (0.50) KMT2AALDH1A1POLBMAPT
SCHEMBL2295353 0.84 RAB9A (0.45) KMT2AALDH1A1POLB
SCHEMBL5296372 0.83 LMNA (0.48) KMT2AALDH1A1POLBMAPTTDP1

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 KMT2A 3680/4885MAPK8 2839/4885ALDH1A1 1381/4885

“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.