SCHEMBL2642532

SCHEMBL2642532

CC(C)S(=O)(=O)c1ccc(N)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA13 Q8N1Q1 1/20 0.60
CA14 Q9ULX7 1/20 0.60
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.41
FEN1 P39748 3/20 0.35
ALOX5AP P20292 2/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
KMT2A Q03164 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
GRIA4 P48058 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
SCHEMBL3606193 0.78 POLB (0.42) CA12CA1CA2CA4CA6
SCHEMBL10832822 0.78 POLB (0.42) CA12CA1CA2CA4CA6
SCHEMBL2643050 0.78 POLB (0.42) CA12CA1CA2CA4CA6
SCHEMBL31279787 0.78 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL1492547 0.78 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL24899890 0.77 POLB (0.44) CA12CA1CA2CA4CA6
SCHEMBL2646778 0.77 POLB (0.41) POLBLMNAKMT2AL3MBTL1
SCHEMBL3610540 0.77 POLB (0.41) CA12CA1CA2CA4CA6
SCHEMBL2642610 0.77 POLB (0.44) CA12CA1CA2CA4CA6
SCHEMBL2642530 0.77 POLB (0.41) CA12CA1CA2CA4CA6

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 22 patents — showing the first 20. 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-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-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-08-03 US disclosed
US-7074799-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-07-11 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
CN-1627944-A Substituted quinazolin-4-ylamine analogues as capsaicin modulators NEUROGEN CORP (US) 2005-06-15 CN disclosed
EP-1471910-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN RECEPTORS NEUROGEN CORPORATION (US) 2004-11-03 EP disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO disclosed
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION 2004-06-03 US disclosed
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 WO 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 (6 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-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 CA12 4669/4885CA1 4754/4885CA2 3944/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 CA12 3808/4885CA1 1643/4885CA2 1525/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 CA12 2552/4885CA1 1920/4885CA2 74/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 CA12 4669/4885CA1 4754/4885CA2 3944/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 CA12 2552/4885CA1 1920/4885CA2 74/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 CA12 4682/4885CA1 4708/4885CA2 3948/4885

“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.