SCHEMBL2643517

SCHEMBL2643517

CCC(=O)c1cc(CN)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 16/20 0.52
LOX P28300 4/20 0.46
LOXL3 P58215 1/20 0.46
SMYD3 Q9H7B4 1/20 0.42
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL2643516 0.83 SMYD3 (0.39) LOXL2SMYD3NOS3NOS1NOS2
SCHEMBL2643691 0.82 LOXL2 (0.55) LOXL2LOXLOXL3SMYD3ALDH1A1
SCHEMBL2880084 0.80 LOXL2 (0.57) LOXL2LOXLOXL3KDM4EALDH1A1
SCHEMBL2176535 0.80 LOXL2 (0.56) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL15350436 0.79 LOXL2 (0.61) LOXL2ALDH1A1
SCHEMBL2642964 0.79 ALDH1A1 (0.40) SMYD3NOS3NOS1NOS2KDM4E
Hydrochloric Acid SCHEMBL5013437 0.79 LOXL2 (0.55) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL4441732 0.78 LOXL2 (0.55) LOXL2LOXLOXL3SMYD3ALDH1A1
SCHEMBL2642933 0.78 LOXL2 (0.62) LOXL2LOXLOXL3SMYD3
SCHEMBL2643034 0.77 UHRF1 (0.43) NOS3NOS1NOS2KDM4EALDH1A1

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 2232/4885LOX 1831/4885LOXL3 2283/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 LOXL2 2252/4885LOX 1812/4885LOXL3 2209/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885LOX 1831/4885LOXL3 2283/4885

“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.