SCHEMBL20153702

SCHEMBL20153702

CCOC(=O)/C=C/c1cnc(N2CCOCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CA P42336 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL5867332 1.00 POLB (0.49) POLBKDM4ECA12CA1CA2
SCHEMBL20153776 0.88 CA12 (0.49) POLBKDM4ECA12CA1CA2
SCHEMBL18692234 0.88 POLB (0.47) POLBKDM4EL3MBTL1PIK3CANPC1
SCHEMBL18692232 0.88 POLB (0.47) POLBKDM4EL3MBTL1PIK3CANPC1
SCHEMBL19304327 0.82 MAPT (0.61) KDM4ECA12CA1CA2CA7
SCHEMBL20153785 0.81 MAPT (0.46) CA12CA1CA2CA7CA9
SCHEMBL18692204 0.79 POLB (0.57) POLBKDM4EL3MBTL1NPC1RAB9A
SCHEMBL18692206 0.79 POLB (0.57) POLBKDM4EL3MBTL1NPC1RAB9A
SCHEMBL4580075 0.79 POLB (0.61) POLBKDM4EL3MBTL1PIK3CARAB9A
SCHEMBL4416303 0.77 POLB (0.51) POLBKDM4EL3MBTL1PIK3CARAB9A

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 POLB 3668/4885KDM4E 2806/4885CA12 4227/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 POLB 3668/4885KDM4E 2806/4885CA12 4227/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV POLB 3719/4885KDM4E 3102/4885CA12 3696/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 POLB 3668/4885KDM4E 2806/4885CA12 4227/4885

“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.