SCHEMBL4772289

SCHEMBL4772289

Cc1cc(-c2ccc(C#N)cc2)cc(C(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.44
HSD11B1 P28845 1/20 0.44
SCN9A Q15858 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
GRM2 Q14416 1/20 0.42
PTGER4 P35408 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
MAP4K4 O95819 1/20 0.42
KDM5A P29375 1/20 0.41
RPA1 P27694 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
MMP3 P08254 1/20 0.41
MYC P01106 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
EGLN1 Q9GZT9 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
SCHEMBL21044309 0.89 MCL1 (0.50) MCL1SCN9AEGLN2SLC22A12MAP4K4
SCHEMBL4775928 0.84 F11 (0.54) SLC22A12KDM5AABCG2
SCHEMBL19539255 0.82 HSD11B1 (0.50) HSD11B1EGLN2MMP3ABCG2
SCHEMBL4775929 0.81 MCL1 (0.38) MCL1
SCHEMBL4775974 0.81 CYP11B2 (0.42) SLC22A12SCN10A
SCHEMBL3090482 0.80 ALOX15 (0.41)
SCHEMBL4772052 0.80 ALOX15 (0.46) MCL1
SCHEMBL4772296 0.80 SCN9A (0.51) MCL1SCN9A
SCHEMBL4776002 0.77 MYC (0.50) EGLN2KDM5AMYCABCG2EGLN1
SCHEMBL4769103 0.77 MCL1 (0.64) MCL1

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 MCL1 3453/4885HSD11B1 4552/4885SCN9A 1437/4885

“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.