SCHEMBL20153683

SCHEMBL20153683

CCOC(=O)/C=C/c1ccc2cccnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 7/20 0.47
LMNA P02545 4/20 0.47
PKM P14618 1/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
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
MAPT P10636 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP9X Q93008 1/20 0.40

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
SCHEMBL20153741 0.83 CA12 (0.44) ALDH1A1KDM4ELMNAPKMCCNC
SCHEMBL10086281 0.82 MAPT (0.52) ALDH1A1KDM4ELMNAPKMCCNC
SCHEMBL12474221 0.82 MAPT (0.52) ALDH1A1KDM4ELMNAPKMCCNC
SCHEMBL6079382 0.80 KDM4E (0.71) ALDH1A1KDM4ELMNAPKMCCNC
SCHEMBL6079392 0.80 KDM4E (0.71) ALDH1A1KDM4ELMNAPKMCCNC
SCHEMBL7562106 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL7562110 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL29550384 0.79 CA12 (0.51) ALDH1A1LMNACCNCCDK8CA12
SCHEMBL2302128 0.79 CA12 (0.51) ALDH1A1LMNACCNCCDK8CA12
SCHEMBL2302901 0.79 CA12 (0.51) ALDH1A1LMNACCNCCDK8CA12

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 986/4885KDM4E 2806/4885LMNA 2016/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ALDH1A1 986/4885KDM4E 2806/4885LMNA 2016/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV ALDH1A1 1153/4885KDM4E 3102/4885LMNA 2720/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 ALDH1A1 986/4885KDM4E 2806/4885LMNA 2016/4885

“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.