SCHEMBL4777388

SCHEMBL4777388

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
MCL1 Q07820 3/20 0.39
SCN9A Q15858 3/20 0.39
LDHA P00338 1/20 0.38
KMO O15229 2/20 0.38
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP13 P45452 1/20 0.37
GPR35 Q9HC97 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
SCHEMBL4772052 0.87 ALOX15 (0.46) ALOX15TSHRHIF1AMCL1KMO
SCHEMBL4772296 0.86 SCN9A (0.51) MCL1SCN9ADHODHMMP13
SCHEMBL31031756 0.85 HCAR2 (0.45)
SCHEMBL4772383 0.85 HCAR2 (0.45)
SCHEMBL4779457 0.85 KMO (0.51) GRM5ADORA2AADORA1LDHAKMO
SCHEMBL4777638 0.84 MCL1 (0.41) ALOX15TSHRHIF1AMCL1SCN9A
SCHEMBL4772173 0.80 KMO (0.50) MCL1LDHAKMODHODHMMP13
SCHEMBL1795856 0.79 CYP1A2 (0.46) GRM5TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL4779426 0.79 KMO (0.47) ALOX15TSHRHIF1AMCL1KMO
SCHEMBL4777616 0.78 KMO (0.44) GRM5MCL1KMOALDH1A1SMN1; SMN2

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 GRM5 6/4885ADORA2A 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.