SCHEMBL4777182

SCHEMBL4777182

N#Cc1csc(C(N)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
GRM1 Q13255 1/20 0.37
GRM5 P41594 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
SCN9A Q15858 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GAA P10253 1/20 0.31
HTR2B P41595 1/20 0.30

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
SCHEMBL1665910 0.81 HDAC3 (0.35) CYP2D6CYP2C9GRM5CYP3A4SCN9A
SCHEMBL12743239 0.81 ALDH1A1 (0.38) CYP2D6CYP2C9CYP1A2GRM1GRM5
SCHEMBL17256744 0.74 RBBP9 (0.35) CYP2D6CYP2C9CYP1A2GRM1HSD17B10
SCHEMBL17256745 0.74 RBBP9 (0.35) CYP2D6CYP2C9CYP1A2GRM1HSD17B10
SCHEMBL4777572 0.73 ALDH1A1 (0.36) CYP2D6CYP2C9HSD17B10CYP3A4SCN9A
SCHEMBL7125552 0.72 GAA (0.56) MYCPARP2GAA
SCHEMBL164484 0.71
SCHEMBL164485 0.71
SCHEMBL2745784 0.71 HTR2B (0.49) CYP2D6CYP2C9CYP3A4SCN9AHTR2B
SCHEMBL19329267 0.71

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 3604/4885CYP2D6 2466/4885CYP2C9 2802/4885

“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.