SCHEMBL4778508

SCHEMBL4778508

Cc1cc(-c2ccc(F)cc2)c(C)c(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.43
HAO2 Q9NYQ3 1/20 0.43
DHFR P00374 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
GRM2 Q14416 2/20 0.40
STAT1 P42224 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP4K4 O95819 1/20 0.40
CES2 O00748 1/20 0.39
CA12 O43570 1/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL4769713 0.86 GRM5 (0.36) DHODHKMT2ASMN1; SMN2
SCHEMBL4776064 0.85 KMO (0.47) DHODHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4769554 0.81 KMO (0.50) NPC1MAPTRAB9ASMN1; SMN2RPA1
SCHEMBL15058043 0.81 DHODH (0.48) DHODHHAO2BCL2L1BADGRM2
SCHEMBL4772395 0.81 HCAR2 (0.42)
SCHEMBL2470048 0.79 DHODH (0.47) DHODHHAO2BCL2L1BADGRM2
SCHEMBL4774420 0.77 CCNC (0.48)
SCHEMBL4774393 0.76 AR (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4774416 0.76 GPR35 (0.51) KDM4EKMT2ASMN1; SMN2
SCHEMBL1796743 0.76 GRM5 (0.63) MEN1NPC1MAPTRAB9AKMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384554-B Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE 2012-08-08 CN claimed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN claimed
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
CN-101384554-B Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE 2012-08-08 CN disclosed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
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 DHODH 3540/4885HAO2 4147/4885DHFR 1104/4885

“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.