SCHEMBL2642828

SCHEMBL2642828

CC(N)c1cccc([O])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.38
MIF P14174 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
ADRB2 P07550 1/20 0.38
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
HIF1A Q16665 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
MDM4 O15151 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL659099 0.83 ADRB2 (0.46) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL820010 0.81 HDAC4 (0.52) KDM4ELMNAALDH1A1CYP3A4HDAC4
SCHEMBL2642539 0.77 MEN1 (0.52) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL5843001 0.77 PGK1 (0.38) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL14975715 0.76 HDAC4 (0.47) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL4948763 0.76 PGK1 (0.40) KDM4EALDH1A1CYP3A4HDAC4HDAC8
SCHEMBL14847092 0.76 HDAC4 (0.47) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL23520554 0.74 ADRB1 (0.39) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL3476361 0.74 CYP3A4 (0.50) ADRB1MIFHTR2AADRA1AHTR2B
Hydrochloric Acid SCHEMBL14122255 0.74 ALDH1A1 (0.45) ADRB1MIFHTR2AADRA1AHTR2B

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 ADRB1 1776/4885MIF 4616/4885HTR2A 2997/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 ADRB1 1764/4885MIF 4626/4885HTR2A 3031/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ADRB1 1776/4885MIF 4616/4885HTR2A 2997/4885

“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.