SCHEMBL1145237

SCHEMBL1145237

[CH2]SCc1ccc(C#N)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CHEK1 O14757 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AR P10275 1/20 0.33
NAMPT P43490 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
GRM2 Q14416 2/20 0.32
PARP14 Q460N5 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL1145241 0.81 BRD4 (0.36) BRD4CHEK1NPSR1ARNAMPT
SCHEMBL128983 0.79 AR (0.38) BRD4CHEK1ARNAMPTEGLN2
SCHEMBL2586493 0.77 BRD4 (0.34) BRD4CHEK1ARNAMPTGRM2
SCHEMBL452013 0.75 BRD4 (0.36) BRD4CHEK1ARNAMPTEGLN2
SCHEMBL453185 0.75 CHEK1 (0.44) BRD4CHEK1ARNAMPTEGLN2
SCHEMBL24146512 0.75 GAA (0.38) BRD4CHEK1ARNAMPTEGLN2
SCHEMBL2760434 0.75 CYP2A6 (0.48) BRD4CHEK1ARNAMPTEGLN2
SCHEMBL453184 0.75 BRD4 (0.39) BRD4CHEK1ARNAMPTEGLN2
SCHEMBL2643631 0.75 BRD4 (0.36) BRD4CHEK1ARNAMPTEGLN2
SCHEMBL507109 0.75 AR (0.41) BRD4CHEK1ARNAMPTEGLN2

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 BRD4 738/4885CHEK1 290/4885NPSR1 4597/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 BRD4 2202/4885CHEK1 2685/4885NPSR1 54/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 BRD4 1998/4885CHEK1 2834/4885NPSR1 82/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR BRD4 1365/4885CHEK1 618/4885NPSR1 365/4885

“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.