SCHEMBL476394

SCHEMBL476394

CN(Cc1cc(S(=O)(=O)c2cccc(C#N)c2)n(-c2cccnc2F)n1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.37
SLC6A4 P31645 7/20 0.37
RORC P51449 5/20 0.36
HTR2A P28223 1/20 0.36
APLNR P35414 1/20 0.33
NAMPT P43490 2/20 0.33

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
SCHEMBL3807718 0.90 HTR2C (0.41) HTR2CSLC6A4HTR2A
SCHEMBL476414 0.89 HTR2C (0.39) HTR2CSLC6A4RORCHTR2A
SCHEMBL476365 0.89 APLNR (0.35) APLNRNAMPT
SCHEMBL3700738 0.89 HTR2C (0.44) HTR2CSLC6A4HTR2A
SCHEMBL476337 0.88 HTR2C (0.38) HTR2CSLC6A4HTR2A
SCHEMBL3705968 0.87 SLC16A3 (0.39) HTR2CSLC6A4HTR2A
SCHEMBL476325 0.86 HTR2C (0.42) HTR2CSLC6A4RORCHTR2A
SCHEMBL3698416 0.84 HTR2C (0.42) HTR2CSLC6A4HTR2A
SCHEMBL476395 0.83 NAMPT (0.33) RORCAPLNRNAMPT
SCHEMBL3697997 0.83 HTR2C (0.41) HTR2CSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 EP 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-20120095057-A1 PYRAZOLE COMPOUND CEL, HRH2, GIPR HTR2C 2241/4885SLC6A4 2943/4885RORC 1348/4885

“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.