SCHEMBL2719916

SCHEMBL2719916

CC(=O)OC(C)C#Cc1cc(F)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MPO P05164 1/20 0.30

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
SCHEMBL2718384 0.86 POLB (0.32) ALDH1A1MAPTMPO
SCHEMBL2718388 0.86 POLB (0.32) ALDH1A1MAPTMPO
SCHEMBL2717906 0.81 MEN1 (0.34) ERN1ALDH1A1
SCHEMBL20482139 0.68 KDM4E (0.37) ERN1ALDH1A1KDM4E
SCHEMBL2717541 0.67 USP2 (0.36) ALDH1A1KDM4EMAPT
SCHEMBL2717538 0.67 USP2 (0.36) ALDH1A1KDM4EMAPT
SCHEMBL20295181 0.66 ALDH1A1 (0.46) ALDH1A1KDM4EMAPT
SCHEMBL15428225 0.65 CA12 (0.40) ALDH1A1KDM4EMAPT
SCHEMBL30134885 0.65 CA12 (0.40) ALDH1A1KDM4EMAPT
SCHEMBL1665856 0.65 MAPT (0.38) ERN1ALDH1A1KDM4ETYRMAPT

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 4 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
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 ERN1 4384/4885ALDH1A1 3702/4885KDM4E 1268/4885

“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.

Send feedback