SCHEMBL3040459

SCHEMBL3040459

Cc1nc(-c2cncc(I)n2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.77
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CDC7 O00311 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
KLKB1 P03952 1/20 0.47
CHRM4 P08173 1/20 0.47
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL3045493 0.89 SCD (0.62) SCDMAPTCHRM4PPARDPPARA
SCHEMBL3049229 0.87 SCD (0.77) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL3038884 0.87 SCD (1.00) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL3045700 0.85 SCD (0.84) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL3046049 0.85 SCD (0.74) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL3041035 0.83 SCD (0.81) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL3045033 0.83 SCD (0.70) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL3045031 0.83 SCD (0.70) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL3035061 0.82 SCD (0.69) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL3035058 0.82 SCD (0.69) SCDHPGDNPC1SMN1; SMN2ALDH1A1

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-2086970-B1 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8314138-B2 Pyrazole derivative as SCD1 inhibitors for the treatment of diabetes NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2086970-A2 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008024390-A2 2- (PYRAZIN-2-YL) -THIAZOLE AND 2- (1H-PYRAZ0L-3-YL) -THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2008-02-28 WO 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-20100239520-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HPGD 344/4885NPC1 228/4885

“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.