SCHEMBL4769459

SCHEMBL4769459

Cc1cc(-c2cnccc2C)cc(C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
CYP11B2 P19099 7/20 0.46
CYP11B1 P15538 5/20 0.46
ABL1 P00519 6/20 0.43
GPBAR1 Q8TDU6 2/20 0.42
MAP4K1 Q92918 4/20 0.41
KIT P10721 1/20 0.40
PDGFRA P16234 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
SCHEMBL30761194 0.87 SIRT3 (0.47) DHODHCYP11B2CYP11B1ABL1GPBAR1
SCHEMBL31031733 0.82 DHODH (0.45) DHODHCYP11B2CYP11B1ABL1MAP4K1
SCHEMBL30761147 0.79 GRM5 (0.47) ABL1MAP4K1
SCHEMBL4778479 0.78 KMO (0.53) DHODHCYP11B2CYP11B1
SCHEMBL30761182 0.78 GRM5 (0.56)
SCHEMBL30761174 0.77 GRM5 (0.60)
SCHEMBL1794081 0.77 NPC1 (0.58)
SCHEMBL4778496 0.76 ABL1 (0.41) ABL1
SCHEMBL29238864 0.75 CYP11B2 (0.45) CYP11B2CYP11B1ABL1MAP4K1KIT
SCHEMBL4772052 0.75 ALOX15 (0.46)

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 DHODH 3540/4885CYP11B2 2896/4885CYP11B1 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.