SCHEMBL1832149

SCHEMBL1832149

CN(Cc1cn(S(=O)(=O)c2cncc(F)c2)c(-c2cccnc2F)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.33
SLC6A4 P31645 4/20 0.33
HTR2A P28223 1/20 0.33
KAT6A Q92794 2/20 0.32
KAT5 Q92993 2/20 0.32
RORC P51449 1/20 0.32
KAT8 Q9H7Z6 2/20 0.32
F2 P00734 3/20 0.31
NAMPT P43490 1/20 0.31
PDK2 Q15119 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL1832665 0.93 RORC (0.35) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL1830275 0.92 HTR2C (0.34) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL2411042 0.91 HTR6 (0.33) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL4420269 0.90 HTR6 (0.37) HTR2CSLC6A4HTR2AKAT8F2
SCHEMBL2196044 0.88 NAMPT (0.33) HTR2CHTR2ANAMPTGPBAR1
SCHEMBL1833792 0.87 KAT6A (0.32) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL2409441 0.87 HTR2C (0.35) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL2407588 0.86 MET (0.38) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL2413759 0.86 RORC (0.36) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL1830758 0.85 HTR2C (0.34) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S HTR2C 1284/4885SLC6A4 1923/4885HTR2A 2228/4885

“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.