SCHEMBL10002783

SCHEMBL10002783

Cc1ccc(S(=O)(=O)n2c(C(=O)/C(C#N)=C\N(C)C)cc3cc(C4CCN(C)CC4)c(F)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ NOD2 Q9HC29 2/20 0.33
▸ NOD1 Q9Y239 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL10002784 1.00 ALOX5 (0.39) ALOX5PTGDR2HTR2AHTR2CNOD2
SCHEMBL16188501 1.00 ALOX5 (0.39) ALOX5PTGDR2HTR2AHTR2CNOD2
SCHEMBL11931671 0.92 HRH3 (0.39) ALOX5PTGDR2NOD2NOD1HTR6
SCHEMBL10003201 0.92 HRH3 (0.39) ALOX5PTGDR2NOD2NOD1HTR6
SCHEMBL10003199 0.92 HRH3 (0.39) ALOX5PTGDR2NOD2NOD1HTR6
SCHEMBL18332221 0.89 HRH3 (0.39) ALOX5PTGDR2NOD2NOD1HTR6
SCHEMBL16188499 0.88 GPR119 (0.42) ALOX5
SCHEMBL10003558 0.88 GPR119 (0.42) ALOX5
SCHEMBL16188500 0.86 ALOX5 (0.42) ALOX5PTGDR2HTR2AHTR2CNOD2
SCHEMBL16188502 0.86 ALOX5 (0.42) ALOX5HTR2AHTR2CNOD2NOD1

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 2600/4885PTGDR2 1849/4885HTR2A 3446/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 ALOX5 643/4885PTGDR2 1382/4885HTR2A 3037/4885

“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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