SCHEMBL4777636

SCHEMBL4777636

Cc1cc(-c2cccc(S(C)(=O)=O)c2)cc(C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.44
NR1H2 P55055 7/20 0.43
CAMKK2 Q96RR4 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.42
NR1H3 Q13133 2/20 0.42
LRRK2 Q5S007 1/20 0.41
JAK2 O60674 1/20 0.41
PRKDC P78527 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
NTRK1 P04629 1/20 0.40
MET P08581 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
MAP2K2 P36507 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK8 P45983 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
SCHEMBL24572933 0.81 CAMKK2 (0.50) GRK6NR1H2CAMKK2CSNK2A2CSNK2B
SCHEMBL4779457 0.78 KMO (0.51)
SCHEMBL1795807 0.78 GCK (0.59)
SCHEMBL16834307 0.77 KAT6A (0.49) GRK6CAMKK2CSNK2A2CSNK2BPRKDC
SCHEMBL23978009 0.77 DAO (0.44)
SCHEMBL4772052 0.77 ALOX15 (0.46) MCL1
SCHEMBL4778355 0.76 DHODH (0.52)
SCHEMBL4775930 0.76 ALDH1A1 (0.57) NR1H2NR1H3MCL1
SCHEMBL4775928 0.75 F11 (0.54) GRK6
SCHEMBL4772425 0.75 KMO (0.54) RXRA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384554-B Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE 2012-08-08 CN claimed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN claimed
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
CN-101384554-B Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE 2012-08-08 CN disclosed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN 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 GRK6 207/4885NR1H2 712/4885CAMKK2 426/4885

“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.