SCHEMBL2642933

SCHEMBL2642933

CNC(=O)c1cc(CN)ccn1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 10/20 0.62
PARP1 P09874 1/20 0.50
SMYD3 Q9H7B4 1/20 0.47
LOX P28300 4/20 0.45
LOXL3 P58215 1/20 0.44
ADORA1 P30542 6/20 0.43
KDR P35968 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL171414 0.91 LOXL2 (0.53) LOXL2PARP1SMYD3ADORA1KDR
SCHEMBL18922125 0.85 SMYD3 (0.58) LOXL2PARP1SMYD3ADORA1KDR
SCHEMBL246824 0.85 PARP1 (0.51) LOXL2PARP1SMYD3ADORA1KDR
SCHEMBL30542691 0.85 PARP1 (0.51) LOXL2PARP1SMYD3ADORA1KDR
SCHEMBL245411 0.83 PARP1 (0.50) LOXL2PARP1SMYD3ADORA1KDR
SCHEMBL31256801 0.83 PARP1 (0.50) LOXL2PARP1SMYD3ADORA1KDR
Hydrochloric Acid SCHEMBL244051 0.83 PARP1 (0.50) LOXL2PARP1SMYD3ADORA1KDR
SCHEMBL2642931 0.83 PARP1 (0.50) LOXL2PARP1SMYD3ADORA1KDR
SCHEMBL14354793 0.83 PARP1 (0.50) LOXL2PARP1SMYD3ADORA1KDR
SCHEMBL1346581 0.83 PARP1 (0.50) LOXL2PARP1SMYD3ADORA1KDR

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 2232/4885PARP1 3678/4885SMYD3 3443/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 LOXL2 2252/4885PARP1 3629/4885SMYD3 3414/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885PARP1 3678/4885SMYD3 3443/4885

“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.