SCHEMBL20153804

SCHEMBL20153804

CCOC(=O)/C=C/c1cnc2cnn(C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.48
CDK8 P49336 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TTR P02766 1/20 0.46
DPP4 P27487 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
CYP3A4 P08684 2/20 0.44
FDPS P14324 1/20 0.43
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RY12 Q9H244 1/20 0.40
ACHE P22303 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
SCHEMBL20153853 0.80 CCNC (0.48) CCNCCDK8NPC1RAB9ATTR
SCHEMBL20153761 0.77 NPC1 (0.47) CCNCCDK8NPC1RAB9ATTR
SCHEMBL20153782 0.77 TTR (0.46) CCNCCDK8NPC1RAB9ATTR
SCHEMBL18195217 0.76 TTR (0.45) CCNCCDK8NPC1RAB9ATTR
SCHEMBL20153778 0.75 TTR (0.47) CCNCCDK8NPC1RAB9ATTR
SCHEMBL372012 0.74 KDM4E (0.76) CCNCCDK8NPC1RAB9ATTR
SCHEMBL372011 0.74 KDM4E (0.76) CCNCCDK8NPC1RAB9ATTR
SCHEMBL10313846 0.73 P2RY12 (0.44) CCNCCDK8NPC1RAB9ATTR
SCHEMBL20153503 0.73 CA12 (0.60) NPC1RAB9ATTRDPP4CA12
SCHEMBL29725669 0.73 PTGER4 (0.37)

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 CCNC 2974/4885CDK8 1367/4885NPC1 1454/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 CCNC 2974/4885CDK8 1367/4885NPC1 1454/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV CCNC 3310/4885CDK8 1466/4885NPC1 1441/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 CCNC 2974/4885CDK8 1367/4885NPC1 1454/4885

“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.