SCHEMBL1763092

SCHEMBL1763092

CNCc1cn(S(=O)(=O)c2ccccc2)c(-c2cccnc2C#N)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.38
MET P08581 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
PLK1 P53350 1/20 0.32
ALDH3A1 P30838 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1F P30939 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 1/20 0.31
NAMPT P43490 1/20 0.31

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
Hydrochloric Acid SCHEMBL2410192 0.99 HTR6 (0.38) HTR6METCYP2C19CCNE1CDK2
SCHEMBL1580758 0.91 KAT5 (0.33) HTR6CCNE1CDK2CYP2C9
SCHEMBL1580872 0.91 HTR6 (0.40) HTR6DRD2HTR7
Hydrochloric Acid SCHEMBL2413054 0.90 HTR6 (0.39) HTR6DRD2HTR7
SCHEMBL1580530 0.90 GLO1 (0.38) HTR6NAMPT
Hydrochloric Acid SCHEMBL2409926 0.89 NR3C1 (0.37) HTR6NAMPT
SCHEMBL1580308 0.88 HTR6 (0.41) HTR6METCYP2C19CCNE1CDK2
SCHEMBL1580429 0.87 MET (0.44) HTR6METDRD2
Fumaric Acid SCHEMBL2409868 0.87 KAT5 (0.34) HTR6PTGDR2CYP2C9
Fumaric Acid SCHEMBL2409865 0.87 KAT5 (0.34) HTR6PTGDR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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 (2 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 HTR6 1727/4885MET 1980/4885CYP2C19 1/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 HTR6 1727/4885MET 1980/4885CYP2C19 1/4885

“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.