SCHEMBL1799552

SCHEMBL1799552

Cc1cc(-c2ccc(Cl)nc2)cc(C(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.44
KMO O15229 5/20 0.43
MCL1 Q07820 3/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP4K4 O95819 1/20 0.40
PIK3CD O00329 1/20 0.40
ERN1 O75460 1/20 0.39
RBP4 P02753 1/20 0.38
CYP2A6 P11509 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL4778549 0.82 DHODH (0.46) KMOMCL1CYP2A6
SCHEMBL4771320 0.79 KMO (0.51) KMOMCL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL4772052 0.79 ALOX15 (0.46) KMOMCL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL4779426 0.78 KMO (0.47) KMOMCL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1798549 0.78 NPC1 (0.65)
SCHEMBL4776090 0.76 SMN1; SMN2 (0.39) KMOALDH1A1MAPK1SMN1; SMN2RBP4
SCHEMBL4774543 0.75 KMO (0.53) KMOMCL1GPR35
SCHEMBL4772296 0.75 SCN9A (0.51) MCL1
SCHEMBL4769620 0.75 KMO (0.49) KMOMCL1ALDH1A1SMN1; SMN2
SCHEMBL4778479 0.75 KMO (0.53) KMOALDH1A1CYP2A6

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 NAPRT 1416/4885KMO 1037/4885MCL1 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.