SCHEMBL2292549

SCHEMBL2292549

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccccn3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 9/20 0.48
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
KDR P35968 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL2299723 0.92 GRM4 (0.48) GRM4NPC1RAB9ASMN1; SMN2KDR
SCHEMBL2295024 0.91 RAB9A (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2295674 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2292746 0.87 RAB9A (0.50) NPC1RAB9ASMN1; SMN2LMNAKCNK3
SCHEMBL5292979 0.86 RAB9A (0.43) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2295161 0.86 CBLB (0.47) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2297613 0.86 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2297493 0.86 RAB9A (0.49) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL5302872 0.85 RAB9A (0.47) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2296670 0.85 NR1I2 (0.47) NPC1RAB9ASMN1; SMN2LMNAKDR

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 GRM4 2364/4885NPC1 2770/4885RAB9A 1893/4885

“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.