SCHEMBL2643232

SCHEMBL2643232

[NH]Cc1nc(CCN)cs1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HDAC1 Q13547 12/20 0.36
HDAC6 Q9UBN7 12/20 0.36
AOC3 Q16853 1/20 0.35
NOS1 P29475 1/20 0.33
HRH1 P35367 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
SCHEMBL11779488 0.85 LOXL2 (0.52) LOXL2TAAR1HDAC1HDAC6AOC3
SCHEMBL2643234 0.83 LOXL2 (0.42) LOXL2TAAR1HDAC1HDAC6AOC3
SCHEMBL2642910 0.83
SCHEMBL2643509 0.75
SCHEMBL2643208 0.75
SCHEMBL17261564 0.72
SCHEMBL307817 0.72
SCHEMBL3956722 0.72 LOXL2 (0.47) LOXL2TAAR1HDAC1HDAC6AOC3
Bromide SCHEMBL15544713 0.71 NOS1 (0.56) AOC3NOS1
SCHEMBL2643105 0.71

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 2232/4885TAAR1 4223/4885HDAC1 355/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 LOXL2 2252/4885TAAR1 4214/4885HDAC1 362/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885TAAR1 4223/4885HDAC1 355/4885

“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.