SCHEMBL2642587

SCHEMBL2642587

CCS(=O)(=O)c1csc(CN)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 19/20 0.54
LOXL3 P58215 3/20 0.50
KCNH2 Q12809 1/20 0.44
AOC3 Q16853 1/20 0.44
PSIP1 O75475 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
SCHEMBL16849840 0.83 LOXL2 (0.55) LOXL2LOXL3KCNH2AOC3
SCHEMBL2642584 0.81 LOXL2 (0.37) LOXL2LOXL3KCNH2AOC3
SCHEMBL16852655 0.81 LOXL2 (0.53) LOXL2LOXL3KCNH2AOC3
SCHEMBL2645321 0.77 SMN1; SMN2 (0.43)
SCHEMBL2642538 0.75 ALDH1A1 (0.41)
SCHEMBL2642730 0.73 PSIP1 (0.30) PSIP1
SCHEMBL2645318 0.73 PSIP1 (0.30) PSIP1
SCHEMBL19274623 0.71 LOXL2 (1.00) LOXL2LOXL3KCNH2AOC3
Hydrochloric Acid SCHEMBL20983563 0.70 LOXL2 (1.00) LOXL2LOXL3KCNH2AOC3
SCHEMBL2643512 0.68

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-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-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP 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 (3 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885LOXL3 2283/4885KCNH2 198/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 LOXL2 2252/4885LOXL3 2209/4885KCNH2 197/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885LOXL3 2283/4885KCNH2 198/4885

“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.