SCHEMBL1145962

SCHEMBL1145962

[CH2]OCc1ccc(C#N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
NAMPT P43490 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.34
PARP14 Q460N5 1/20 0.34
MAOB P27338 2/20 0.33
CHEK1 O14757 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL1145967 0.81 ALOX5AP (0.38) ALOX5APFEN1JAK2JAK1TYK2
SCHEMBL1585201 0.79 ALOX5AP (0.37) ALOX5APFEN1JAK2JAK1TYK2
SCHEMBL24146512 0.79 GAA (0.38) ALOX5APFEN1NAMPTBRD4PARP14
SCHEMBL128983 0.79 AR (0.38) ALOX5APFEN1NAMPTJAK2JAK1
SCHEMBL1243454 0.77 ALOX5AP (0.38) ALOX5APFEN1JAK2JAK1TYK2
SCHEMBL16115303 0.76 BRD4 (0.33) ALOX5APFEN1NAMPTBRD4PARP14
SCHEMBL27001735 0.76 ALOX5AP (0.38) ALOX5APFEN1NAMPTJAK2JAK1
SCHEMBL795973 0.75 ALDH1A1 (0.43) ALOX5APFEN1POLBCHEK1EGLN1
SCHEMBL1583949 0.75 NAMPT (0.36) ALOX5APFEN1NAMPTJAK2JAK1
SCHEMBL14313759 0.75 ALDH1A1 (0.46) NAMPTJAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (4 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 ALOX5AP 2926/4885FEN1 1924/4885NAMPT 1876/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ALOX5AP 2108/4885FEN1 2521/4885NAMPT 1959/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ALOX5AP 2234/4885FEN1 2915/4885NAMPT 1786/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR ALOX5AP 1510/4885FEN1 2687/4885NAMPT 101/4885

“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.