SCHEMBL1145965

SCHEMBL1145965

CO[CH]c1ccc(C#N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
AR P10275 1/20 0.35
CHEK1 O14757 3/20 0.34
NQO1 P15559 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
PIK3CA P42336 1/20 0.33
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32

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
SCHEMBL31503090 0.82 NQO1 (0.36) PDE10AARCHEK1NQO1MAPT
SCHEMBL9839943 0.79 AR (0.38) PDE10AARCHEK1PIK3CANSD2
SCHEMBL450834 0.75 ALDH1A1 (0.42) ARCHEK1KDM4EALDH1A1EGLN2
SCHEMBL27810552 0.75 CHEK1 (0.36) PDE10AARCHEK1KDM4EALDH1A1
SCHEMBL9111542 0.75 ALDH1A1 (0.40) PDE10AARCHEK1ALDH1A1TSHR
SCHEMBL1145238 0.74 AR (0.35) PDE10AARCHEK1EGLN2BRD4
SCHEMBL1145728 0.73 MYC (0.36) NQO1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL240556 0.72 NQO1 (0.50) PDE10ANQO1MAPTKDM4EALDH1A1
SCHEMBL6701954 0.72 CHEK1 (0.34) ARCHEK1NSD2NSD3EGLN2
SCHEMBL1657380 0.70 NSD2 (0.40) PDE10AARCHEK1NQO1MAPT

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 PDE10A 4395/4885AR 4132/4885CHEK1 290/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 PDE10A 401/4885AR 1539/4885CHEK1 2685/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 PDE10A 455/4885AR 1497/4885CHEK1 2834/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR PDE10A 747/4885AR 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.