SCHEMBL4776090

SCHEMBL4776090

Cc1cc(-c2cc(Cl)ncc2F)cc(C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RBP4 P02753 3/20 0.38
GPR35 Q9HC97 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
KMO O15229 9/20 0.35
EIF4EBP1 Q13541 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
AHR P35869 1/20 0.33
RAB9A P51151 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL1798000 0.79 NPC1 (0.53) KDM4ENPC1RAB9A
SCHEMBL1799552 0.76 NAPRT (0.44) SMN1; SMN2ALDH1A1MAPK1RBP4GPR35
SCHEMBL4778187 0.76 CTSA (0.41) RBP4KMONPC1RAB9AMMP13
SCHEMBL29238864 0.75 CYP11B2 (0.45)
SCHEMBL4771320 0.73 KMO (0.51) SMN1; SMN2KDM4EASPHKDM8ALDH1A1
SCHEMBL4777638 0.73 MCL1 (0.41) SMN1; SMN2KDM4EASPHKDM8ALDH1A1
SCHEMBL4778496 0.73 ABL1 (0.41) SMN1; SMN2KDM4EALDH1A1MAPK1GPR35
SCHEMBL4774543 0.72 KMO (0.53) GPR35KMO
SCHEMBL4772052 0.72 ALOX15 (0.46) SMN1; SMN2KDM4EALDH1A1MAPK1GPR35
SCHEMBL24619132 0.72 AAK1 (0.35) AAK1

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 SMN1; SMN2 2965/4885KDM4E 542/4885ASPH 2941/4885

“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.