SCHEMBL10003399

SCHEMBL10003399

Cc1ccc(S(=O)(=O)n2cccc2C(=O)/C(C#N)=C\N(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ PPME1 Q9Y570 7/20 0.39
▸ APEH P13798 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RECQL P46063 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
SCHEMBL10003402 1.00 RAPGEF4 (0.42) RAPGEF4PPME1APEHRAB9AL3MBTL1
SCHEMBL10003870 0.81 NPSR1 (0.41) RAB9AL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL10003873 0.81 NPSR1 (0.41) RAB9AL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL11905791 0.79 CPT1A (0.43) RAPGEF4HPGDMEN1KMT2ANPSR1
SCHEMBL11905795 0.79 CPT1A (0.43) RAPGEF4HPGDMEN1KMT2ANPSR1
SCHEMBL16178031 0.79 NPSR1 (0.38) RAB9AL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL16178030 0.79 NPSR1 (0.38) RAB9AL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL16792457 0.78 ALOX5 (0.58) RAB9AL3MBTL1HPGDALDH1A1LMNA
SCHEMBL16792452 0.78 ALOX5 (0.58) RAB9AL3MBTL1HPGDALDH1A1LMNA
SCHEMBL10002868 0.78 ALOX5 (0.58) L3MBTL1LMNAMEN1KMT2A

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 RAPGEF4 2738/4885PPME1 3100/4885APEH 1373/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 RAPGEF4 4081/4885PPME1 3838/4885APEH 1727/4885

“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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