SCHEMBL20153705

SCHEMBL20153705

CCOC(=O)/C=C/c1cncc(C(=O)N2CCN(C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 1/20 0.41
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.40
APP P05067 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
ALPL P05186 2/20 0.39

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
SCHEMBL20153870 0.91 HSD17B10 (0.47) RAB9AGAATTRDPP4HSD17B10
SCHEMBL21282928 0.88 HPGD (0.43) RAB9AGAATTRDPP4HSD17B10
SCHEMBL20153713 0.81 NPC1 (0.45) RAB9ATTRDPP4CA12CA1
SCHEMBL20153725 0.79 TTR (0.50) RAB9ATTRDPP4CA12CA1
SCHEMBL20153726 0.78 TTR (0.49) RAB9ATTRDPP4CA12CA1
SCHEMBL21282929 0.76 TTR (0.47) RAB9ATTRDPP4CA12CA1
SCHEMBL17974436 0.75 CA12 (0.54) RAB9ATTRDPP4CA12CA1
SCHEMBL20153770 0.74 NPC1 (0.46) RAB9ATTRDPP4CA12CA1
SCHEMBL16068582 0.73 TTR (0.38) RAB9ATTRDPP4CA12CA1
SCHEMBL12513061 0.72 PIM2 (0.62) ACHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (4 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 RAB9A 914/4885GAA 2702/4885CNR2 2002/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 RAB9A 914/4885GAA 2702/4885CNR2 2002/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV RAB9A 1135/4885GAA 2854/4885CNR2 1935/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 RAB9A 914/4885GAA 2702/4885CNR2 2002/4885

“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.