SCHEMBL4769460

SCHEMBL4769460

NC(=O)c1nc(C2CCCC2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 3/20 0.41
ADORA1 P30542 3/20 0.41
C1S P09871 1/20 0.40
MAPT P10636 6/20 0.38
TDP1 Q9NUW8 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RORC P51449 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
FPR1 P21462 1/20 0.36

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
SCHEMBL3708334 0.98 C1S (0.42) TMIGD3ADORA1C1SMAPTTDP1
SCHEMBL31135495 0.97 ADORA1 (0.41) TMIGD3ADORA1C1SMAPTTDP1
SCHEMBL2678119 0.93 ADORA1 (0.46) TMIGD3ADORA1C1SMAPTTDP1
SCHEMBL29488949 0.85 MAPK1 (0.39) TMIGD3ADORA1MAPTTDP1NPC1
SCHEMBL5774108 0.85 HRH4 (0.41) TMIGD3ADORA1MAPTTDP1NPC1
SCHEMBL15499883 0.84 RORC (0.42) TMIGD3ADORA1C1SRAB9ARORC
SCHEMBL18811614 0.84 RORC (0.42) TMIGD3ADORA1C1SRAB9ARORC
SCHEMBL20389483 0.84 RORC (0.42) TMIGD3ADORA1C1SRAB9ARORC
SCHEMBL20764932 0.80 UCHL1 (0.43) TMIGD3ADORA1MAPTTDP1NPC1
SCHEMBL22518536 0.78 ADORA1 (0.47) TMIGD3ADORA1MAPTTDP1NPC1

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 5 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
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 TMIGD3 899/4885ADORA1 221/4885C1S 3866/4885

“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.