SCHEMBL10042005

SCHEMBL10042005

CCCSc1nc2c(=O)[nH]ccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.50
TSHR P16473 1/20 0.44
APLNR P35414 4/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3CA P42336 1/20 0.42
TP53 P04637 5/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.38
PDE7A Q13946 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL10042004 0.92 FADS1 (0.47) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2565059 0.89 FADS1 (0.54) FADS1TSHRAPLNRPIK3CDPIK3CB
SCHEMBL2566027 0.83 FADS1 (0.52) FADS1TSHRAPLNRPIK3CDPIK3CB
SCHEMBL2562601 0.83 FADS1 (0.51) FADS1TSHRAPLNRPIK3CDPIK3CB
SCHEMBL10042038 0.82 PIK3CD (0.44) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL14957401 0.82 PIK3CD (0.44) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2560508 0.81 FADS1 (0.51) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL14957309 0.80 FADS1 (0.53) FADS1TSHRAPLNRPIK3CDPIK3CB
SCHEMBL2995367 0.79 FADS1 (0.54) FADS1TSHRAPLNRPIK3CDPIK3CB
SCHEMBL2558130 0.78 FADS1 (0.49) FADS1TSHRAPLNRPIK3CDPIK3CB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023858-B2 Substituted pyrido[2,3-d]pyrimidines as delta-5-desaturase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-05 US disclosed
US-9023858-B2 Substituted pyrido[2,3-d]pyrimidines as delta-5-desaturase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-05 US disclosed
US-9023858-B2 Substituted pyrido[2,3-d]pyrimidines as delta-5-desaturase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-05 US disclosed
EP-2597095-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-05-29 EP disclosed
US-20130131050-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-23 US disclosed
US-20130131050-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-23 US disclosed
US-20130131050-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-23 US disclosed
WO-2012011591-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 武田薬品工業株式会社 (JP) 2012-01-26 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-20130131050-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LTB4R2, LTB4R, LTC4S FADS1 115/4885TSHR 4564/4885APLNR 1187/4885

“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.