Sugi Predict

Sugi Predict / Compounds / SCHEMBL20153727

SCHEMBL20153727

SCHEMBL20153727

CCOC(=O)/C=C/c1cncc(N2CCCC2=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CCNC P24863 5/20 0.34
▸ CDK8 P49336 5/20 0.34
▸ CDK19 Q9BWU1 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL20153720 0.78 PIK3CA (0.45) ALDH1A1NPC1L3MBTL1RAB9ACA12
SCHEMBL20153748 0.78 NPC1 (0.42) ALDH1A1NPC1RAB9ACA12CA1
SCHEMBL20153752 0.75 TTR (0.45) NPC1RAB9ACA12CA1CA2
SCHEMBL7749841 0.73 CA12 (0.55) ALDH1A1NPC1RAB9ACA12CA1
SCHEMBL7749847 0.73 CA12 (0.55) ALDH1A1NPC1RAB9ACA12CA1
SCHEMBL20153810 0.71 CA12 (0.43) ALDH1A1NPC1RAB9ACA12CA1
SCHEMBL8565879 0.70 CA12 (0.53) ALDH1A1NPC1RAB9ACA12CA1
SCHEMBL8565875 0.70 CA12 (0.53) ALDH1A1NPC1RAB9ACA12CA1
SCHEMBL20153691 0.70 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ACA12CA1
SCHEMBL27555073 0.67 BDKRB2 (0.44) ALDH1A1CA12CA1CA2CA7

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 ALDH1A1 986/4885NPC1 1454/4885L3MBTL1 2890/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ALDH1A1 986/4885NPC1 1454/4885L3MBTL1 2890/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV ALDH1A1 1153/4885NPC1 1441/4885L3MBTL1 2996/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 ALDH1A1 986/4885NPC1 1454/4885L3MBTL1 2890/4885

“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.