SCHEMBL1832810

SCHEMBL1832810

CNCc1cn(S(=O)(=O)c2cncc(F)c2)c(-c2cccnc2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.35
HTR6 P50406 2/20 0.33
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CASP6 P55212 1/20 0.31
PIP4K2A P48426 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA6 Q15825 1/20 0.31
KAT5 Q92993 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30

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 SCHEMBL1832146 0.99 NAMPT (0.35) NAMPTHTR6TYK2JAK3CASP6
Succinic Acid SCHEMBL1831567 0.94 NAMPT (0.35) NAMPTHTR6CASP6KAT5KAT8
Cadaverine Tartrate SCHEMBL1833475 0.92 NAMPT (0.35) NAMPTKAT5KAT8
Cadaverine Tartrate SCHEMBL2194462 0.92 NAMPT (0.35) NAMPTKAT5KAT8
SCHEMBL1831300 0.91 NAMPT (0.32) NAMPTPIP4K2APIP4K2C
SCHEMBL1831984 0.91 NAMPT (0.34) NAMPTHTR6PIP4K2APIP4K2CKAT5
Hydrochloric Acid SCHEMBL1834884 0.90 NAMPT (0.34) NAMPTHTR6KAT5KAT8
SCHEMBL1580807 0.89 FGFR4 (0.35) HTR6CHRNB2KAT5KAT8SLC40A1
SCHEMBL1831993 0.89 MET (0.35) NAMPTHTR6SLC40A1
SCHEMBL1580974 0.88 HTR6 (0.42) HTR6

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-2318390-A1 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-05-11 EP claimed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO claimed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US 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
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-8592597-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2318390-A1 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-05-11 EP disclosed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (3 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAMPT 1814/4885HTR6 233/4885TYK2 1538/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAMPT 1814/4885HTR6 233/4885TYK2 1538/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAMPT 1814/4885HTR6 233/4885TYK2 1538/4885

“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.