SCHEMBL3047700

SCHEMBL3047700

Cc1nc(-c2ccn(Cc3cccc(C(F)(F)F)c3)n2)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
GPR52 Q9Y2T5 7/20 0.44
NR1H4 Q96RI1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
SCD O00767 1/20 0.42
P2RY14 Q15391 1/20 0.42
PPARA Q07869 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL3043267 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL3045681 0.87 L3MBTL1 (0.46) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL3040606 0.85 KDM4E (0.49) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL13137836 0.83 SCD (0.52) SMN1; SMN2MAPTKDM4EKMT2ASCD
SCHEMBL3045418 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL13506153 0.82 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL3042540 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL3050339 0.81 KDM4E (0.45) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL3045496 0.80 RAB9A (0.49) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL3047610 0.79 PPARA (0.48) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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 SMN1; SMN2 3581/4885ALDH1A1 451/4885NPC1 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.