SCHEMBL1145929

SCHEMBL1145929

FC(F)(F)c1ccc([S])cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.58
PIK3CA P42336 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
DAO P14920 3/20 0.38
MAP4K4 O95819 1/20 0.37
KCNH2 Q12809 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL485933 0.73 TRPV4 (1.00) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL229945 0.73 TRPV4 (0.60) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL4149032 0.73 TRPV4 (0.60) TRPV4
SCHEMBL2643090 0.71 TRPV4 (0.64) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL114542 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL8072956 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL227613 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL130933 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL3168829 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL29918406 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 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
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP 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 (7 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 TRPV4 4516/4885PIK3CA 782/4885PI4KB 401/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TRPV4 3734/4885PIK3CA 1708/4885PI4KB 4054/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TRPV4 2071/4885PIK3CA 1396/4885PI4KB 1372/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TRPV4 3721/4885PIK3CA 1401/4885PI4KB 3388/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR TRPV4 2088/4885PIK3CA 272/4885PI4KB 2187/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 TRPV4 2132/4885PIK3CA 1426/4885PI4KB 1405/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TRPV4 2071/4885PIK3CA 1396/4885PI4KB 1372/4885

“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.