SCHEMBL476445

SCHEMBL476445

CNCc1cc(S(=O)(=O)c2cccc(C)c2)n(-c2cccnc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.38
SLC40A1 Q9NP59 1/20 0.36
HTR2C P28335 3/20 0.35
SLC6A4 P31645 2/20 0.35
NAMPT P43490 2/20 0.34
AKT1 P31749 1/20 0.34
KMT2A Q03164 2/20 0.33
HTR2A P28223 2/20 0.33
GRM4 Q14833 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KCNH2 Q12809 2/20 0.33
HTR7 P34969 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32

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 SCHEMBL476331 0.99 HTR6 (0.38) HTR6SLC40A1HTR2CSLC6A4NAMPT
Hydrochloric Acid SCHEMBL3703128 0.90 HTR6 (0.46) HTR6HTR2CHTR2AKCNH2HTR7
SCHEMBL3695259 0.90 HTR6 (0.36) HTR6HTR2CSLC6A4NAMPTHTR2A
Hydrochloric Acid SCHEMBL3695929 0.89 HTR6 (0.36) HTR6SLC40A1HTR2CSLC6A4NAMPT
SCHEMBL476363 0.88 HTR6 (0.39) HTR6SLC40A1HTR2CNAMPTKMT2A
SCHEMBL476373 0.87 GLO1 (0.39) HTR6SLC40A1NAMPT
SCHEMBL476271 0.87 HTR6 (0.40) HTR6HTR2CSLC6A4HTR2AKCNH2
Hydrochloric Acid SCHEMBL3690326 0.87 NFE2L2 (0.42) HTR6SLC40A1HTR2CSLC6A4NAMPT
Hydrochloric Acid SCHEMBL476433 0.87 GLO1 (0.38) HTR6SLC40A1NAMPT
Hydrochloric Acid SCHEMBL476306 0.86 HTR6 (0.40) HTR6HTR2CSLC6A4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412713-B1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP claimed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US claimed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US claimed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 EP claimed
EP-3329921-B1 TABLET TAKEDA PHARMACEUTICALS CO (JP) 2024-03-27 EP disclosed
CN-108135915-B Tablet formulation 武田药品工业株式会社 2021-06-25 CN disclosed
US-10835541-B2 Tablet TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-17 US disclosed
US-20180214460-A1 TABLET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-02 US disclosed
EP-3329921-A1 TABLET Takeda Pharmaceutical Company Limited (JP) 2018-06-06 EP disclosed
EP-2412713-B1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP 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-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 HTR6 2380/4885SLC40A1 2587/4885HTR2C 2241/4885

“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.