SCHEMBL10004537

SCHEMBL10004537

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ NOD2 Q9HC29 2/20 0.36
▸ NOD1 Q9Y239 2/20 0.36
▸ F10 P00742 6/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TSHR P16473 1/20 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
SCHEMBL18332163 0.97 HRH3 (0.41) HRH3PTGDR2LMNAGAAALOX5
SCHEMBL10003089 0.91 PTGDR2 (0.39) PTGDR2LMNAALOX5NOD2NOD1
SCHEMBL10003016 0.90 HRH3 (0.40) HRH3PTGDR2LMNAGAAALOX5
SCHEMBL10004348 0.86 HRH3 (0.43) HRH3LMNAGAAALOX5NOD2
SCHEMBL10004969 0.85 NOD2 (0.54) HRH3PTGDR2LMNAGAAALOX5
SCHEMBL18332121 0.84 HRH3 (0.40) HRH3PTGDR2LMNAGAAALOX5
SCHEMBL10003201 0.83 HRH3 (0.39) HRH3PTGDR2LMNAGAAALOX5
SCHEMBL11931671 0.83 HRH3 (0.39) HRH3PTGDR2LMNAGAAALOX5
SCHEMBL10003199 0.83 HRH3 (0.39) HRH3PTGDR2LMNAGAAALOX5
SCHEMBL18332167 0.81 HRH3 (0.47) HRH3PTGDR2LMNAGAAALOX5

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 HRH3 76/4885PTGDR2 1849/4885LMNA 4775/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 HRH3 30/4885PTGDR2 1382/4885LMNA 4133/4885

“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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