SCHEMBL3045702

SCHEMBL3045702

Cc1nc(-c2ccn(Cc3ccc(S(C)(=O)=O)cc3)n2)sc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SCD O00767 1/20 0.42
HSP90AA1 P07900 1/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL3040595 0.87 KDM4E (0.48) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3035110 0.87 RAB9A (0.61) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3045496 0.86 RAB9A (0.49) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3050339 0.84 KDM4E (0.45) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3041041 0.83 SMN1; SMN2 (0.47) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3042774 0.83 KDM4E (0.44) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3043267 0.83 SMN1; SMN2 (0.49) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3042540 0.81 SMN1; SMN2 (0.46) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3047610 0.81 PPARA (0.48) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL13137854 0.80 SCD (0.52) RAB9APOLBALDH1A1SCDLMNA

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 12 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 claimed
CN-101506203-B 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 syndromes NOVARTIS AG 2013-10-16 CN claimed
US-8314138-B2 Pyrazole derivative as SCD1 inhibitors for the treatment of diabetes NOVARTIS AG (CH) 2012-11-20 US claimed
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-23 US claimed
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 claimed
CN-101506203-A 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 o NOVARTIS AG (CH) 2009-08-12 CN claimed
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 claimed
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
CN-101506203-B 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 syndromes NOVARTIS AG 2013-10-16 CN 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
CN-101506203-A 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 o NOVARTIS AG (CH) 2009-08-12 CN 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 KDM4E 683/4885RAB9A 4305/4885SMN1; SMN2 3581/4885

“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.