SCHEMBL1799136

SCHEMBL1799136

Cc1cc(-c2cc(F)cc(F)c2)nc(C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 8/20 0.46
ADORA2A P29274 3/20 0.42
ADORA1 P30542 1/20 0.41
LDHA P00338 1/20 0.37
DHODH Q02127 1/20 0.36
VCP P55072 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL1795166 0.82 ADORA2A (0.42) ADORA2AADORA1DHODHALDH1A1SMN1; SMN2
SCHEMBL28344661 0.77 VCP (0.52) KMOADORA1LDHADHODHVCP
SCHEMBL1797145 0.76 ADORA2A (0.46) ADORA2AADORA1KMT2A
SCHEMBL4778199 0.75 KMO (0.57) KMOADORA2ALDHADHODH
SCHEMBL3562789 0.75 KMO (0.59) KMODHODHVCPALDH1A1MAPK1
SCHEMBL3633436 0.74 SMN1; SMN2 (0.50) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL3556359 0.74 ADORA3 (0.50) KMODHODHALDH1A1SMN1; SMN2
SCHEMBL1796422 0.74 ADORA2A (0.45) ADORA2AADORA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4777388 0.74 GRM5 (0.44) KMOADORA2AADORA1LDHADHODH
SCHEMBL1793676 0.73 MAPT (0.51) SMN1; SMN2MEN1KMT2A

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
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
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US 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 1037/4885ADORA2A 200/4885ADORA1 221/4885

“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.