SCHEMBL20153740

SCHEMBL20153740

CCOC(=O)/C=C/c1cnc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TTR P02766 1/20 0.49
DPP4 P27487 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CCNC P24863 3/20 0.47
CDK8 P49336 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CYP3A4 P08684 1/20 0.47
FDPS P14324 1/20 0.46
MAOB P27338 1/20 0.45
P2RY12 Q9H244 1/20 0.45
PTGS2 P35354 1/20 0.44

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
SCHEMBL2383627 0.82 CYP3A4 (0.60) KMT2AKDM4ESMN1; SMN2TTRDPP4
SCHEMBL3153965 0.82 CYP3A4 (0.60) KMT2AKDM4ESMN1; SMN2TTRDPP4
SCHEMBL372011 0.82 KDM4E (0.76) KMT2AKDM4ESMN1; SMN2TTRDPP4
SCHEMBL372012 0.82 KDM4E (0.76) KMT2AKDM4ESMN1; SMN2TTRDPP4
SCHEMBL30634288 0.81 CYP3A4 (0.50) KMT2AKDM4ESMN1; SMN2TTRDPP4
SCHEMBL30634283 0.81 CYP3A4 (0.47) KMT2AKDM4ESMN1; SMN2TTRDPP4
SCHEMBL26790647 0.81 FDPS (0.57) KMT2AKDM4ETTRDPP4CYP3A4
SCHEMBL30634271 0.81 FDPS (0.57) KMT2AKDM4ETTRDPP4CYP3A4
SCHEMBL20153731 0.80 TTR (0.49) KMT2AKDM4ESMN1; SMN2TTRDPP4
SCHEMBL6537895 0.80 KDM4E (0.49) KMT2AKDM4ESMN1; SMN2TTRDPP4

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 KMT2A 4218/4885KDM4E 2806/4885SMN1; SMN2 3667/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 KMT2A 4218/4885KDM4E 2806/4885SMN1; SMN2 3667/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV KMT2A 4169/4885KDM4E 3102/4885SMN1; SMN2 3792/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 KMT2A 4218/4885KDM4E 2806/4885SMN1; SMN2 3667/4885

“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.