SCHEMBL2717906

SCHEMBL2717906

CC(=O)OC(C)C#Cc1ccccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ERN1 O75460 3/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ TLR1 Q15399 1/20 0.34
▸ TLR6 Q9Y2C9 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ SRC P12931 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HPGD P15428 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 0.85 USP2 (0.36) LMNATDP1ALDH1A1TSHRCYP3A4
SCHEMBL15445445 0.85 USP2 (0.36) LMNATDP1ALDH1A1TSHRCYP3A4
SCHEMBL2719916 0.81 ERN1 (0.32) ERN1ALDH1A1
SCHEMBL2729337 0.78 LMNA (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL15428204 0.77 LMNA (0.44) MEN1LMNATHRBBLMKMT2A
SCHEMBL7021794 0.74 FFAR1 (0.42) LMNAALDH1A1TSHRCYP3A4HPGD
SCHEMBL9586744 0.74 CA2 (0.48) LMNATSHRCA1CA2
SCHEMBL4096868 0.71 MEN1 (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL28465228 0.69 LMNA (0.39) MEN1LMNATHRBBLMKMT2A
SCHEMBL9699037 0.68 LMNA (0.50) MEN1LMNATHRBBLMKMT2A

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
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 MEN1 574/4885LMNA 2393/4885THRB 2599/4885

“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