SCHEMBL2296336

SCHEMBL2296336

Nc1ccc2c(c1)ncn2C(CC(=O)O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.41
ITGAV P06756 8/20 0.41
ITGB5 P18084 3/20 0.41
FGFR1 P11362 1/20 0.39
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSA P10619 3/20 0.37
ITGA2B P08514 2/20 0.37
HCAR3 P49019 1/20 0.37
LCK P06239 1/20 0.37
PDE4D Q08499 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL5303602 0.89 FGFR1 (0.47) ITGB3ITGAVFGFR1POLBSMN1; SMN2
SCHEMBL2295849 0.89 FGFR1 (0.47) ITGB3ITGAVFGFR1POLBSMN1; SMN2
SCHEMBL2292144 0.88 KCNA5 (0.41) PPARGHSD17B10LCKPDE4D
SCHEMBL2297140 0.83 ALDH1A1 (0.45) ITGB3ITGAVITGB5FGFR1POLB
SCHEMBL2292280 0.82 POLB (0.45) ITGB3ITGAVFGFR1POLBSMN1; SMN2
SCHEMBL2294961 0.80 FGFR1 (0.41) ITGB3ITGAVFGFR1POLBSMN1; SMN2
SCHEMBL2299260 0.80 HPGD (0.48) TDP1MAPTTBXAS1
SCHEMBL2298461 0.79 POLB (0.46) ITGB3ITGAVFGFR1POLBSMN1; SMN2
SCHEMBL2299858 0.78 SMN1; SMN2 (0.51) ITGB3ITGAVFGFR1POLBSMN1; SMN2
SCHEMBL2296957 0.78 HCAR3 (0.50) FGFR1POLBSMN1; SMN2TDP1MAPT

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 11 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
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 ITGB3 10/4885ITGAV 13/4885ITGB5 1/4885

“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.