SCHEMBL2719952

SCHEMBL2719952

Oc1cnnc2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PARP1 P09874 1/20 0.36
IDO1 P14902 1/20 0.35
DHODH Q02127 4/20 0.35
AMY1A P0DUB6 2/20 0.34
MPO P05164 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL29665249 0.86 MAP4K4 (0.44) KDM4ECCNA2CDK2CCNA1CLK1
SCHEMBL24478797 0.86 MAP4K4 (0.44) KDM4ECCNA2CDK2CCNA1CLK1
SCHEMBL4558986 0.85 KDM4E (0.40) KDM4ECA3CA6CA5ACA9
SCHEMBL29665259 0.84 MAP4K4 (0.43) KDM4ECCNA2CDK2CCNA1CLK1
SCHEMBL12861090 0.77 SRC (0.32)
SCHEMBL9998167 0.77 ERN1 (0.37) PARP1
SCHEMBL2717940 0.77 PIK3CD (0.40) KDM4ECCNA2CDK2CCNA1CYP11B1
SCHEMBL6112367 0.77 MAPT (0.41) CCNA2CDK2CCNA1PARP1IDO1
SCHEMBL12034330 0.77 TRPA1 (0.45) KDM4ECCNA2CDK2CCNA1PARP1
SCHEMBL29665255 0.77 ALOX15 (0.39) IDO1MAPTHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 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 (1 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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 KDM4E 1268/4885CA3 4045/4885CA6 2543/4885

“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.