SCHEMBL10003016

SCHEMBL10003016

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ NOD2 Q9HC29 2/20 0.35
▸ NOD1 Q9Y239 2/20 0.35
▸ F10 P00742 3/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ EPHX2 P34913 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ HTR6 P50406 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
SCHEMBL10004537 0.90 HRH3 (0.41) HRH3PTGDR2ALOX5LMNAGAA
SCHEMBL18332163 0.88 HRH3 (0.41) HRH3PTGDR2ALOX5LMNAGAA
SCHEMBL10003547 0.86 NOD2 (0.52) HRH3PTGDR2ALOX5LMNAGAA
SCHEMBL10004348 0.84 HRH3 (0.43) HRH3ALOX5LMNAGAANOD2
SCHEMBL10004905 0.84 HRH3 (0.38) HRH3PTGDR2ALOX5LMNAGAA
SCHEMBL10004907 0.84 HRH3 (0.38) HRH3PTGDR2ALOX5LMNAGAA
SCHEMBL11929892 0.84 HRH3 (0.38) HRH3PTGDR2ALOX5LMNAGAA
SCHEMBL10003089 0.80 PTGDR2 (0.39) PTGDR2ALOX5LMNANOD2NOD1
SCHEMBL10003607 0.80 NOD2 (0.41) PTGDR2ALOX5LMNAGAANOD2
SCHEMBL18332391 0.77 PTGDR2 (0.39) PTGDR2ALOX5LMNANOD2NOD1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1849/4885ALOX5 2600/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 HRH3 30/4885PTGDR2 1382/4885ALOX5 643/4885

“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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