SCHEMBL10003707

SCHEMBL10003707

Cc1ccc(S(=O)(=O)n2c(C(=O)CC#N)cc3cc(C4CCN(C)CC4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ NOD2 Q9HC29 3/20 0.41
▸ NOD1 Q9Y239 3/20 0.41
▸ HTR6 P50406 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ USP5 P45974 3/20 0.38
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ QDPR P09417 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL10002843 0.93 NOD2 (0.44) ALOX5NOD2NOD1HTR6USP5
SCHEMBL10002800 0.93 ALOX5 (0.41) ALOX5NOD2NOD1HTR6DRD3
SCHEMBL10004348 0.90 HRH3 (0.43) ALOX5NOD2NOD1HRH3USP5
SCHEMBL11905830 0.90 ALOX5 (0.41) ALOX5NOD2NOD1HTR6DRD3
SCHEMBL10003099 0.89 ALOX5 (0.41) ALOX5NOD2NOD1HTR6DRD3
SCHEMBL10003173 0.87 GPR119 (0.44) ALOX5NOD2NOD1TP53
SCHEMBL10003990 0.86 NOD2 (0.44) ALOX5NOD2NOD1USP5PPARG
SCHEMBL10003089 0.85 PTGDR2 (0.39) ALOX5NOD2NOD1HTR6L3MBTL1
SCHEMBL10002916 0.83 NOD2 (0.62) ALOX5NOD2NOD1HTR6USP5
SCHEMBL16188502 0.81 ALOX5 (0.42) ALOX5NOD2NOD1HTR6DRD3

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 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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