SCHEMBL2717538

SCHEMBL2717538

CC(=O)OC(C)C#Cc1ccccc1/C=N\O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HTT P42858 3/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ FGF23 Q9GZV9 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ELANE P08246 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ ALOX12 P18054 2/20 0.31
▸ PRTN3 P24158 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2717541 1.00 USP2 (0.36) USP2HPGDLMNAALDH1A1HTT
SCHEMBL15445445 1.00 USP2 (0.36) USP2HPGDLMNAALDH1A1HTT
SCHEMBL2717906 0.85 MEN1 (0.34) HPGDLMNAALDH1A1HTTTSHR
SCHEMBL2718384 0.82 POLB (0.32) LMNAALDH1A1MAPTL3MBTL1
SCHEMBL2718388 0.82 POLB (0.32) LMNAALDH1A1MAPTL3MBTL1
SCHEMBL4092075 0.74 USP2 (0.40) USP2HPGDLMNAALDH1A1HTT
SCHEMBL7021794 0.71 FFAR1 (0.42) HPGDLMNAALDH1A1MAPTTSHR
SCHEMBL9586744 0.71 CA2 (0.48) LMNATSHRHSD17B10
SCHEMBL9615770 0.64 TSHR (0.55) LMNAALDH1A1MAPTTSHRHSD17B10
SCHEMBL29798255 0.64 HPGD (0.43) HPGDLMNAALDH1A1HTTMAPK1

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 3 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
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

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 USP2 2894/4885HPGD 1172/4885LMNA 2393/4885

“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.

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