SCHEMBL4769713

SCHEMBL4769713

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
PIN1 Q13526 1/20 0.35
DHODH Q02127 3/20 0.35
KMO O15229 2/20 0.35
POLQ O75417 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR5A P47898 1/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC9A1 P19634 1/20 0.33

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
SCHEMBL4778508 0.86 DHODH (0.43) DHODHSMN1; SMN2KMT2A
SCHEMBL4772395 0.85 HCAR2 (0.42) PIN1POLQ
SCHEMBL4776064 0.80 KMO (0.47) GRM5DHODHKMOPOLQSMN1; SMN2
SCHEMBL4774393 0.77 AR (0.42) KMOALDH1A1MAPK1SMN1; SMN2
SCHEMBL4769554 0.77 KMO (0.50) KMOSMN1; SMN2
SCHEMBL4774420 0.75 CCNC (0.48) KMOPOLQ
SCHEMBL1797295 0.75 GRM5 (0.53) GRM5SMN1; SMN2KMT2A
SCHEMBL1794085 0.74 GRM5 (0.54) GRM5POLQKMT2A
SCHEMBL1794208 0.74 GRM5 (0.42) GRM5POLQMAPK1SMN1; SMN2KMT2A
SCHEMBL4774416 0.74 GPR35 (0.51) GRM5KMOMAPK1SMN1; SMN2KMT2A

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.