SCHEMBL12376552

SCHEMBL12376552

CN(C)C1CCN(CC#CC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.32
AGTR2 P50052 1/20 0.32
USP2 O75604 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
CHRM2 P08172 3/20 0.30
CHRM4 P08173 3/20 0.30
CHRM5 P08912 3/20 0.30
CHRM1 P11229 3/20 0.30
CHRM3 P20309 3/20 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
SCHEMBL24428800 0.79 ALDH1A1 (0.39) HTTALDH1A1RECQLGAAUSP2
SCHEMBL2611013 0.79 ACHE (0.38) HTTALDH1A1RECQLGAALMNA
SCHEMBL14979149 0.79 LMNA (0.34) LMNAL3MBTL3CHRM2CHRM4CHRM5
SCHEMBL14412020 0.78 GNAI3 (0.38) HTTALDH1A1RECQLGAAUSP2
SCHEMBL26252051 0.78 HTT (0.35) HTTALDH1A1RECQLGAAUSP2
SCHEMBL25612815 0.76 MAOB (0.36) HTTALDH1A1RECQLGAAUSP2
SCHEMBL12376563 0.75 CHRM2 (0.41) AGTR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL25609750 0.75 HTT (0.36) HTTALDH1A1RECQLGAAUSP2
SCHEMBL12724617 0.74 LMNA (0.59) HTTALDH1A1RECQLGAALMNA
SCHEMBL25609706 0.74 LMNA (0.52) HTTALDH1A1RECQLGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-7893059-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-02-22 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US 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 (5 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC HTT 2990/4885ALDH1A1 1635/4885RECQL 2381/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 HTT 3220/4885ALDH1A1 1929/4885RECQL 3453/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA HTT 4388/4885ALDH1A1 2960/4885RECQL 1313/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA HTT 4395/4885ALDH1A1 1547/4885RECQL 674/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 HTT 3220/4885ALDH1A1 1929/4885RECQL 3453/4885

“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.