SCHEMBL4778199

SCHEMBL4778199

Cc1nc(C(=O)O)cc(-c2cc(F)cc(F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.57
ADORA2A P29274 1/20 0.39
MCL1 Q07820 3/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
SCN9A Q15858 1/20 0.37
LDHA P00338 2/20 0.36
CTSA P10619 1/20 0.36
DHODH Q02127 1/20 0.36
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL1796672 0.83 SMN1; SMN2 (0.40) KMOADORA2ATSHRSCN9ACTSA
SCHEMBL14741997 0.81 KMO (0.66) KMOMCL1
SCHEMBL14742089 0.80 KMO (0.65) KMOMCL1LDHACTSADHODH
SCHEMBL28527128 0.79 KMO (0.65) KMOMCL1LDHA
SCHEMBL4777388 0.76 GRM5 (0.44) KMOADORA2AMCL1ALOX15TSHR
SCHEMBL3685745 0.75 ALOX15 (0.54) KMOALOX15TSHRHIF1AGPR35
SCHEMBL1799136 0.75 KMO (0.46) KMOADORA2ALDHADHODH
SCHEMBL1797145 0.74 ADORA2A (0.46) ADORA2ATSHR
SCHEMBL1792969 0.73 GRM5 (0.43) KMOADORA2A
SCHEMBL1795461 0.73 NPC1 (0.52)

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 KMO 1037/4885ADORA2A 200/4885MCL1 3453/4885

“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.