SCHEMBL1145241

SCHEMBL1145241

CSCc1ccc(C#N)nc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
AR P10275 1/20 0.35
CHEK1 O14757 2/20 0.33
NAMPT P43490 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GRM2 Q14416 3/20 0.32
PARP14 Q460N5 1/20 0.32
CYP2A6 P11509 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL1145237 0.81 BRD4 (0.34) BRD4ARCHEK1NAMPTEGLN2
SCHEMBL2586493 0.81 BRD4 (0.34) BRD4ARCHEK1NAMPTGRM2
SCHEMBL2760434 0.79 CYP2A6 (0.48) BRD4ARCHEK1NAMPTEGLN2
SCHEMBL6348729 0.76 LOXL2 (0.52) BRD4ARCHEK1NAMPT
SCHEMBL13061999 0.76 RAB9A (0.41) BRD4ARGRM2CYP2A6NPSR1
SCHEMBL24146512 0.75 GAA (0.38) BRD4ARCHEK1NAMPTEGLN2
SCHEMBL2643631 0.75 BRD4 (0.36) BRD4ARCHEK1NAMPTEGLN2
SCHEMBL453184 0.75 BRD4 (0.39) BRD4ARCHEK1NAMPTEGLN2
SCHEMBL507109 0.75 AR (0.41) BRD4ARCHEK1NAMPTEGLN2
SCHEMBL452013 0.75 BRD4 (0.36) BRD4ARCHEK1NAMPTEGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017213252-A1 OXADIAZOLE COMPOUND AND USE AS PESTICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-14 WO disclosed
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 738/4885AR 4132/4885CHEK1 290/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 BRD4 2202/4885AR 1539/4885CHEK1 2685/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 BRD4 1998/4885AR 1497/4885CHEK1 2834/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR BRD4 1365/4885AR 504/4885CHEK1 618/4885

“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.