SCHEMBL4560894

SCHEMBL4560894

Cc1ccc(S(=O)(=O)n2ccc3c(Cl)cccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.56
KDM4E B2RXH2 1/20 0.51
UBE2N P61088 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.47
ALDH3A1 P30838 1/20 0.47
HTT P42858 1/20 0.47
NOD1 Q9Y239 1/20 0.47
BCHE P06276 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
HTR1F P30939 2/20 0.46
HTR7 P34969 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2A P28223 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4783590 0.86 HTR6 (0.68) HTR6HTTBCHEHTR1ADRD2
SCHEMBL3684432 0.85 HTR6 (0.58) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL30285388 0.85 HTR6 (0.58) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL30096985 0.82 HTR6 (0.56) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL505125 0.82 HTR6 (0.56) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL30949526 0.82 HTR6 (0.59) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL11218072 0.82 HTR6 (0.59) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL10823230 0.82 HTR6 (0.56) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL6570590 0.82 HTR6 (0.76) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL2054135 0.82 HTR6 (0.65) HTR6HTR1ADRD2HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 EP disclosed
WO-2012065062-A1 NOVEL ANTIVIRAL COMPOUNDS PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) 2012-05-18 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 (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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 HTR6 2507/4885KDM4E 1500/4885UBE2N 4420/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 HTR6 1210/4885KDM4E 2063/4885UBE2N 3823/4885

“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.