Sugi Predict

Sugi Predict / Compounds / SCHEMBL20153713

SCHEMBL20153713

SCHEMBL20153713

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TTR P02766 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ PIM2 Q9P1W9 3/20 0.41
▸ MAOB P27338 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 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
SCHEMBL20153770 0.90 NPC1 (0.46) NPC1RAB9ATTRDPP4CA12
SCHEMBL20153785 0.87 MAPT (0.46) NPC1RAB9ATTRDPP4CA12
SCHEMBL20153705 0.81 RAB9A (0.42) NPC1RAB9ATTRDPP4CA12
SCHEMBL12513061 0.78 PIM2 (0.62) PIM2ACHEPIM1CSNK2A2CSNK2A1
SCHEMBL20153748 0.78 NPC1 (0.42) NPC1RAB9ATTRDPP4CA12
SCHEMBL7293453 0.77 CA12 (0.51) NPC1RAB9ATTRDPP4CA12
SCHEMBL7293458 0.77 CA12 (0.51) NPC1RAB9ATTRDPP4CA12
SCHEMBL17974436 0.76 CA12 (0.54) NPC1RAB9ATTRDPP4CA12
SCHEMBL20153825 0.75 NPC1 (0.52) NPC1RAB9ATTRDPP4CA12
SCHEMBL16068582 0.75 TTR (0.38) NPC1RAB9ATTRDPP4CA12

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 NPC1 1454/4885RAB9A 914/4885TTR 531/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 NPC1 1454/4885RAB9A 914/4885TTR 531/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV NPC1 1441/4885RAB9A 1135/4885TTR 661/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 NPC1 1454/4885RAB9A 914/4885TTR 531/4885

“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.