SCHEMBL10003682

SCHEMBL10003682

Cc1ccc(S(=O)(=O)n2c(C(=O)CC#N)cc3c(Cl)cccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 2/20 0.44
▸ NOD1 Q9Y239 2/20 0.44
▸ AGTR1 P30556 3/20 0.43
▸ PCSK9 Q8NBP7 1/20 0.43
▸ PSEN1 P49768 2/20 0.41
▸ PSEN2 P49810 2/20 0.41
▸ APH1B Q8WW43 2/20 0.41
▸ NCSTN Q92542 2/20 0.41
▸ APH1A Q96BI3 2/20 0.41
▸ PSENEN Q9NZ42 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ HTR6 P50406 3/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR1D P28221 1/20 0.38

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
SCHEMBL10003207 0.87 NOD2 (0.40) NOD2NOD1AGTR1PSEN1PSEN2
SCHEMBL11909983 0.87 PTGDR2 (0.41) NOD2NOD1AGTR1PSEN1PSEN2
SCHEMBL10003474 0.83 NOD1 (0.46) NOD2NOD1AGTR1LMNAALOX5
SCHEMBL16792477 0.82 NOD1 (0.65) NOD2NOD1AGTR1PSEN1PSEN2
SCHEMBL11929890 0.82 ALOX5 (0.44) NOD2NOD1AGTR1PCSK9PSEN1
SCHEMBL10003024 0.81 HTR6 (0.47) NOD2NOD1AGTR1PSEN1PSEN2
SCHEMBL10003163 0.80 NOD1 (0.53) NOD2NOD1AGTR1PCSK9PSEN1
SCHEMBL10003854 0.80 PPARG (0.56) NOD2NOD1PSEN1PSEN2APH1B
SCHEMBL10003303 0.80 NOD2 (0.48) NOD2NOD1PSEN1PSEN2APH1B
SCHEMBL10004054 0.79 NOD1 (0.51) NOD2NOD1AGTR1LMNAALOX5

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 14 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

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 NOD2 2641/4885NOD1 1738/4885AGTR1 47/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NOD2 2443/4885NOD1 1110/4885AGTR1 141/4885

“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.

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