SCHEMBL4772437

SCHEMBL4772437

COc1cncc(-c2cc(C)nc(C(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
CYP11B2 P19099 8/20 0.47
CYP11B1 P15538 7/20 0.47
CYP3A4 P08684 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
MCL1 Q07820 2/20 0.44
PIK3CG P48736 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
KCNH2 Q12809 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK1 O14757 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 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
SCHEMBL4778161 0.82 HCAR2 (0.47) CYP11B2CYP11B1MCL1PIK3CGKDM4E
SCHEMBL4769103 0.81 MCL1 (0.64) MCL1KDM4EALDH1A1POLBHPGD
SCHEMBL4775930 0.80 ALDH1A1 (0.57) MCL1ADORA1KDM4EALDH1A1POLB
SCHEMBL4772383 0.79 HCAR2 (0.45) CYP11B2CYP11B1CYP3A4CYP1A2CYP2C9
SCHEMBL31031756 0.79 HCAR2 (0.45) CYP11B2CYP11B1CYP3A4CYP1A2CYP2C9
SCHEMBL4779431 0.79 HCAR2 (0.39) CYP1A2CYP2C9MCL1KDM4EALDH1A1
SCHEMBL4772052 0.78 ALOX15 (0.46) MCL1KDM4EALDH1A1
SCHEMBL1796318 0.77 GRM5 (0.57) KDM4EHPGD
SCHEMBL1794476 0.76 GRM5 (0.44) MKNK1MKNK2CYP3A4CYP1A2CYP2C9
SCHEMBL7226501 0.76 KDM4E (0.53) MCL1KDM4EALDH1A1POLBHPGD

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 MKNK1 3419/4885MKNK2 2611/4885CYP1A1 2578/4885

“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.