SCHEMBL4774543

SCHEMBL4774543

Cc1cc(-c2ccc(F)c(Cl)c2)cc(C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.53
MARS1 P56192 1/20 0.47
RPA1 P27694 1/20 0.46
MCL1 Q07820 1/20 0.44
MDM2 Q00987 1/20 0.44
ABL1 P00519 1/20 0.42
HSD17B14 Q9BPX1 1/20 0.41
GPR35 Q9HC97 1/20 0.40
CASP1 P29466 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40

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
SCHEMBL4772173 0.87 KMO (0.50) KMOMCL1
SCHEMBL4772356 0.81 KMO (0.55) KMO
SCHEMBL4772296 0.80 SCN9A (0.51) MCL1
SCHEMBL4779426 0.80 KMO (0.47) KMOMCL1GPR35
SCHEMBL4777638 0.79 MCL1 (0.41) KMOMCL1GPR35
SCHEMBL1794581 0.78 CYP3A4 (0.57)
SCHEMBL1795467 0.78 SORT1 (0.50) KMO
SCHEMBL4772052 0.78 ALOX15 (0.46) KMOMCL1GPR35
SCHEMBL1796391 0.77 SMARCA2 (0.48) KMO
SCHEMBL1798409 0.77 SMN1; SMN2 (0.49) KMOABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384554-B Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE 2012-08-08 CN claimed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN claimed
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
CN-101384554-B Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE 2012-08-08 CN disclosed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
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 KMO 1037/4885MARS1 1402/4885RPA1 4417/4885

“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.