SCHEMBL2990831

SCHEMBL2990831

CNC(=O)c1csc(C(N)=O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.52
AHR P35869 1/20 0.52
HPGD P15428 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.49
ACHE P22303 1/20 0.41
BRD4 O60885 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PLA2G4A P47712 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL2745784 0.81 HTR2B (0.49) NR1I2AHRRAB9ANPC1ACHE
SCHEMBL4683786 0.79 KDM1A (0.46) RAB9ANPC1ACHEPLA2G4AMEN1
SCHEMBL14959207 0.78 HPGD (0.54) NR1I2AHRHPGDRAB9ANPC1
SCHEMBL2643154 0.78 RAB9A (0.57) NR1I2AHRHPGDRAB9ANPC1
SCHEMBL3095218 0.78 ADORA2A (0.39) NR1I2AHRHPGDPOLBHDAC1
SCHEMBL17712058 0.77 PLA2G4A (0.50) ACHEPLA2G4AHTR2B
SCHEMBL28878477 0.76 HTR2B (0.42) GAAACHEHDAC1HDAC8HDAC6
SCHEMBL2996971 0.76 USP2 (0.46) HPGDRAB9ANPC1POLBHDAC1
SCHEMBL2986992 0.76 PANK3 (0.54) NR1I2AHRRAB9ANPC1HDAC1
SCHEMBL2927818 0.76 HPGD (0.56) NR1I2AHRHPGDRAB9ANPC1

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
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US 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
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US 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
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (3 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 NR1I2 3554/4885AHR 2484/4885HPGD 635/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 NR1I2 3554/4885AHR 2484/4885HPGD 635/4885
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 NR1I2 287/4885AHR 699/4885HPGD 3294/4885

“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.