SCHEMBL2642524

SCHEMBL2642524

NCCc1cccc(CN)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.61
DRD2 P14416 1/20 0.61
DRD1 P21728 1/20 0.61
LOXL2 Q9Y4K0 2/20 0.56
HTR2A P28223 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP2A6 P11509 1/20 0.56
PNMT P11086 1/20 0.54
ENPP2 Q13822 1/20 0.54
HTR6 P50406 2/20 0.53
HTR2C P28335 1/20 0.53
NOS1 P29475 3/20 0.50
HTR7 P34969 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
NOS3 P29474 2/20 0.47
NOS2 P35228 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL659100 0.92 TAAR1 (0.70) TAAR1DRD2DRD1LOXL2HTR2A
Hydrochloric Acid SCHEMBL3957562 0.90 TAAR1 (0.67) TAAR1DRD2DRD1LOXL2HTR2A
SCHEMBL28208656 0.90 LOXL2 (0.60) TAAR1DRD2DRD1LOXL2SMN1; SMN2
Ethylenediamine SCHEMBL23430103 0.87 LOXL2 (0.63) TAAR1LOXL2SMN1; SMN2PNMTENPP2
SCHEMBL10422276 0.87 LOXL2 (0.71) TAAR1LOXL2SMN1; SMN2PNMTENPP2
SCHEMBL36008 0.87 LOXL2 (0.71) TAAR1LOXL2SMN1; SMN2PNMTENPP2
SCHEMBL27969138 0.85 CYP19A1 (0.56) TAAR1LOXL2SMN1; SMN2PNMTENPP2
Ammonia Solution, Strong SCHEMBL6899866 0.84 LOXL2 (0.67) TAAR1LOXL2SMN1; SMN2PNMTENPP2
Hydrochloric Acid SCHEMBL6018896 0.84 LOXL2 (0.67) TAAR1LOXL2SMN1; SMN2PNMTENPP2
SCHEMBL7883952 0.84 LOXL2 (0.67) TAAR1LOXL2SMN1; SMN2PNMTENPP2

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 12 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
CN-102056894-A Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN 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
CN-1863777-A Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2006-11-15 CN disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
US-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO 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 TAAR1 4223/4885DRD2 2087/4885DRD1 1751/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 TAAR1 4214/4885DRD2 2058/4885DRD1 1702/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TAAR1 4223/4885DRD2 2087/4885DRD1 1751/4885

“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.