SCHEMBL2642456

SCHEMBL2642456

CCNc1cccc(C[NH])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
SIGMAR1 Q99720 3/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5144284 0.83 RAPGEF4 (0.53) THRATHRBMAPTRAPGEF4SIGMAR1
SCHEMBL3363357 0.80 MAPT (0.50) THRATHRBMAPTCYP1A2CYP3A4
SCHEMBL7686927 0.80 THRA (0.44) THRATHRBMAPTCYP1A2CYP3A4
SCHEMBL2642459 0.80 HTR6 (0.47) THRATHRBCYP3A4SIGMAR1GRIN2D
SCHEMBL3103338 0.80 PDK1 (0.46) THRATHRBMAPTCYP1A2CYP3A4
SCHEMBL7047409 0.79 TSHR (0.42) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23134330 0.77 NOS1 (0.51) THRATHRBMAPTCYP1A2CYP3A4
SCHEMBL18338171 0.77 SIGMAR1 (0.41) THRATHRBMAPTCYP1A2CYP3A4
SCHEMBL8283676 0.77 CYP4F2 (0.47) THRATHRBMAPTCYP1A2CYP3A4
SCHEMBL2643092 0.75 MAPT (0.42) THRATHRBMAPTCYP1A2CYP3A4

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 THRA 2356/4885THRB 2574/4885MAPT 4596/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 THRA 2334/4885THRB 2592/4885MAPT 4612/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 THRA 2356/4885THRB 2574/4885MAPT 4596/4885

“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.