SCHEMBL4774416

SCHEMBL4774416

Cc1cc(-c2cccnc2)c(C)c(C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
KMO O15229 2/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
MKNK1 Q9BUB5 3/20 0.46
MKNK2 Q9HBH9 3/20 0.46
CYP2A6 P11509 1/20 0.46
CYP19A1 P11511 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM5 P41594 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
XDH P47989 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL4774393 0.83 AR (0.42) GPR35KMOKDM4ELMNAMAPK1
SCHEMBL31372554 0.82 CYP2A6 (0.53) GPR35KMOKDM4ELMNAHTT
SCHEMBL2472468 0.82 CYP2A6 (0.53) GPR35KMOKDM4ELMNAHTT
SCHEMBL4772395 0.78 HCAR2 (0.42)
SCHEMBL4774420 0.78 CCNC (0.48) KMO
SCHEMBL1797438 0.78 GRM5 (0.57) GRM5
SCHEMBL29890990 0.77 CYP2A6 (0.47) GPR35KMT2ACYP2A6HPGDTSHR
SCHEMBL21383780 0.77 CYP2A6 (0.47) GPR35KMT2ACYP2A6HPGDTSHR
SCHEMBL1797024 0.77 GRM5 (0.54) KDM4ELMNAKMT2ASMN1; SMN2GRM5
SCHEMBL1792734 0.76 GRM5 (0.48) GPR35KDM4EKMT2AGRM5

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 GPR35 210/4885KMO 1037/4885KDM4E 542/4885

“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.