SCHEMBL4772052

SCHEMBL4772052

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
HIF1A Q16665 1/20 0.46
MCL1 Q07820 7/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 2/20 0.42
DAO P14920 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KMO O15229 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
IGFBP3 P17936 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
SCHEMBL4779426 0.87 KMO (0.47) ALOX15TSHRHIF1AMCL1ALDH1A1
SCHEMBL4777388 0.87 GRM5 (0.44) ALOX15TSHRHIF1AMCL1ALDH1A1
SCHEMBL4779431 0.85 HCAR2 (0.39) ALOX15TSHRHIF1AMCL1ALDH1A1
SCHEMBL4777638 0.85 MCL1 (0.41) ALOX15TSHRHIF1AMCL1ALDH1A1
SCHEMBL4772296 0.84 SCN9A (0.51) MCL1KDM4E
SCHEMBL4769620 0.84 KMO (0.49) MCL1ALDH1A1SMN1; SMN2KMOKDM4E
SCHEMBL4778161 0.82 HCAR2 (0.47) ALOX15TSHRHIF1AMCL1ALDH1A1
SCHEMBL4775929 0.82 MCL1 (0.38) ALOX15TSHRHIF1AMCL1ALDH1A1
SCHEMBL3389041 0.81 ALOX15 (0.42) ALOX15TSHRHIF1AMCL1ALDH1A1
SCHEMBL4772173 0.81 KMO (0.50) MCL1KMOIGFBP3

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 ALOX15 3534/4885TSHR 283/4885HIF1A 2704/4885

“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.