SCHEMBL2297594

SCHEMBL2297594

COc1ccc(Br)c(OC)c1C(=O)Nc1ccc2ncn(C(CC(=O)O)c3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GRM4 Q14833 2/20 0.39
MAPT P10636 4/20 0.39
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
ADRA2B P18089 1/20 0.37
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
STK39 Q9UEW8 1/20 0.36
CYP24A1 Q07973 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
SCHEMBL5301613 0.93 PRNP (0.47) PRNPL3MBTL1SMN1; SMN2TP53GRM4
SCHEMBL2294395 0.89 MAPT (0.46) SMN1; SMN2MAPTADRA2BKMT2ANOTUM
SCHEMBL2297445 0.87 ALDH1A1 (0.47) L3MBTL1SMN1; SMN2TP53MAPTMEN1
SCHEMBL2297563 0.83 NPC1 (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL5304516 0.82 NPC1 (0.43) PRNPL3MBTL1SMN1; SMN2TP53GRM4
SCHEMBL2297333 0.82 ADRA2B (0.49) PRNPL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL5302849 0.81 KLKB1 (0.45) SMN1; SMN2TP53MAPTKDRADRA2B
SCHEMBL2298688 0.81 NPC1 (0.48) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL5284873 0.80 GAA (0.37) SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL2299134 0.80 NPC1 (0.49) SMN1; SMN2TP53MAPTKMT2A

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 PRNP 4405/4885L3MBTL1 1292/4885SMN1; 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.