SCHEMBL4775974

SCHEMBL4775974

Cc1cc(-c2cncc(C#N)c2)cc(C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.42
PIK3CG P48736 1/20 0.42
CYP11B1 P15538 2/20 0.42
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
BACE1 P56817 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
F11 P03951 1/20 0.37
PIN1 Q13526 1/20 0.37
XDH P47989 1/20 0.37
POLQ O75417 1/20 0.37
P4HTM Q9NXG6 1/20 0.37

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
SCHEMBL4772289 0.81 MCL1 (0.44) SCN10ASLC22A12
SCHEMBL4778161 0.81 HCAR2 (0.47) CYP11B2PIK3CGCYP11B1
SCHEMBL4775928 0.81 F11 (0.54) SLC22A12F11PIN1XDH
SCHEMBL3090482 0.80 ALOX15 (0.41) F11PIN1
SCHEMBL31031756 0.78 HCAR2 (0.45) CYP11B2PIK3CGCYP11B1
SCHEMBL4772383 0.78 HCAR2 (0.45) CYP11B2PIK3CGCYP11B1
SCHEMBL4775929 0.78 MCL1 (0.38)
SCHEMBL1793266 0.78 NPC1 (0.50)
SCHEMBL4779431 0.77 HCAR2 (0.39)
SCHEMBL1794776 0.77 LRRK2 (0.47) PIK3CGKCNH2SCN10APOLQ

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US 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 (1 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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 CYP11B2 2896/4885PIK3CG 2974/4885CYP11B1 3265/4885

“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.