SCHEMBL10002719

SCHEMBL10002719

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ NOD2 Q9HC29 2/20 0.38
▸ NOD1 Q9Y239 2/20 0.38
▸ AGTR1 P30556 3/20 0.37
▸ PCSK9 Q8NBP7 1/20 0.37
▸ HPGD P15428 4/20 0.37
▸ HTR6 P50406 3/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36

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
SCHEMBL10002720 1.00 ALOX5 (0.41) ALOX5NOD2NOD1AGTR1PCSK9
SCHEMBL11929890 0.91 ALOX5 (0.44) ALOX5NOD2NOD1AGTR1PCSK9
SCHEMBL10003441 0.89 ALOX5 (0.37) ALOX5NOD2NOD1AGTR1HPGD
SCHEMBL10003439 0.89 ALOX5 (0.37) ALOX5NOD2NOD1AGTR1HPGD
SCHEMBL10003151 0.89 NPC1 (0.37) ALOX5NOD2NOD1HPGDHTR6
SCHEMBL10003150 0.89 NPC1 (0.37) ALOX5NOD2NOD1HPGDHTR6
SCHEMBL10002909 0.85 ALOX5 (0.42) ALOX5NOD2NOD1HPGDMAPT
SCHEMBL10002907 0.85 ALOX5 (0.42) ALOX5NOD2NOD1HPGDMAPT
SCHEMBL16792457 0.84 ALOX5 (0.58) ALOX5NOD2NOD1AGTR1HPGD
SCHEMBL16792452 0.84 ALOX5 (0.58) ALOX5NOD2NOD1AGTR1HPGD

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 6 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-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-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 ALOX5 2600/4885NOD2 2641/4885NOD1 1738/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 ALOX5 643/4885NOD2 2443/4885NOD1 1110/4885

“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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