SCHEMBL2297630

SCHEMBL2297630

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cnc4ccccc4n3)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
CBLB Q13191 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ABCB1 P08183 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL2297613 0.93 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL5302336 0.90 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL2299761 0.89 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL2297443 0.87 CBLB (0.47) SMN1; SMN2RAB9ANPC1MAPTCBLB
SCHEMBL2299723 0.86 GRM4 (0.48) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL2298619 0.86 RAB9A (0.52) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL2294478 0.85 NPC1 (0.48) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL5302348 0.83 MAPT (0.40) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL5300582 0.83 TP53 (0.45) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL2298763 0.82 NPC1 (0.37) SMN1; SMN2RAB9ANPC1MAPTMEN1

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 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

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 SMN1; SMN2 2159/4885RAB9A 1893/4885NPC1 2770/4885

“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.