SCHEMBL10003065

SCHEMBL10003065

COc1cc2c(cc1Br)cc(C(=O)C(C#N)=CN(C)C)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ HPGD P15428 4/20 0.37
▸ PKM P14618 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC3 O15379 2/20 0.32

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
SCHEMBL10003064 1.00 ALOX5 (0.38) ALOX5NOD2NOD1ALDH1A1HPGD
SCHEMBL10003582 0.88 ALOX5 (0.39) ALOX5NOD2NOD1ALDH1A1HPGD
SCHEMBL10003580 0.88 ALOX5 (0.39) ALOX5NOD2NOD1ALDH1A1HPGD
SCHEMBL18332013 0.87 ALOX5 (0.41) ALOX5NOD2NOD1ALDH1A1HPGD
SCHEMBL10003334 0.86 ALOX5 (0.39) ALOX5NOD2NOD1ALDH1A1HPGD
SCHEMBL10003329 0.86 ALOX5 (0.39) ALOX5NOD2NOD1ALDH1A1HPGD
SCHEMBL10002979 0.85 ALOX5 (0.38) ALOX5NOD2NOD1ALDH1A1HPGD
SCHEMBL10002978 0.85 ALOX5 (0.38) ALOX5NOD2NOD1ALDH1A1HPGD
SCHEMBL10003655 0.84 ALOX5 (0.43) ALOX5NOD2NOD1ALDH1A1HPGD
SCHEMBL10003003 0.84 ALOX5 (0.43) ALOX5NOD2NOD1ALDH1A1HPGD

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 10 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-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-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 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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