SCHEMBL4776002

SCHEMBL4776002

Cc1cc(-c2ccnc(C#N)c2)cc(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.50
GRM5 P41594 2/20 0.42
KMO O15229 1/20 0.41
PIK3R2 O00459 1/20 0.40
XDH P47989 4/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
EIF4EBP1 Q13541 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
FTO Q9C0B1 2/20 0.37
KDM6B O15054 1/20 0.37
TET3 O43151 1/20 0.37
KDM4A O75164 1/20 0.37
BBOX1 O75936 1/20 0.37
MAPT P10636 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5C P41229 1/20 0.37
ASPH Q12797 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TET2 Q6N021 1/20 0.37

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
SCHEMBL4775929 0.86 MCL1 (0.38) KMOEIF4EBP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4769620 0.84 KMO (0.49) GRM5KMOKDM4EALDH1A1FTO
SCHEMBL1799079 0.81 GRM5 (0.46) MYCGRM5
SCHEMBL1793747 0.79 GRM5 (0.51) GRM5KDM4EMAPT
SCHEMBL1793992 0.79 SMARCA2 (0.47) MYCGRM5
SCHEMBL4771320 0.79 KMO (0.51) GRM5KMOKDM4EALDH1A1FTO
SCHEMBL4777616 0.79 KMO (0.44) GRM5KMOKDM4EALDH1A1FTO
SCHEMBL1794864 0.78 GRM5 (0.48) MYCGRM5USP30
SCHEMBL4772289 0.77 MCL1 (0.44) MYCABCG2KDM5AEGLN2EGLN1
SCHEMBL1793428 0.77 GRM5 (0.47) MYCGRM5KDM4EALDH1A1SMN1; SMN2

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 MYC 3604/4885GRM5 6/4885KMO 1037/4885

“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.