SCHEMBL10003751

SCHEMBL10003751

Cc1ccc(S(=O)(=O)n2c(C(=O)C(C#N)=CN(C)C)cc3ccc(C4CCN(C)CC4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.42
▸ HTR6 P50406 3/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ USP5 P45974 2/20 0.34
▸ STAT3 P40763 1/20 0.33
▸ STAT5B P51692 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ QDPR P09417 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16188500 1.00 ALOX5 (0.42) ALOX5HTR6DRD3HRH3NOD2
SCHEMBL10003747 1.00 ALOX5 (0.42) ALOX5HTR6DRD3HRH3NOD2
SCHEMBL10002928 0.94 ALOX5 (0.43) ALOX5HTR6NOD2NOD1USP5
SCHEMBL10002929 0.94 ALOX5 (0.43) ALOX5HTR6NOD2NOD1USP5
SCHEMBL16188502 0.93 ALOX5 (0.42) ALOX5HTR6DRD3HRH3NOD2
SCHEMBL11905442 0.93 ALOX5 (0.42) ALOX5HTR6DRD3HRH3NOD2
SCHEMBL11905443 0.93 ALOX5 (0.42) ALOX5HTR6DRD3HRH3NOD2
SCHEMBL10004320 0.87 ALOX5 (0.43) ALOX5HTR6NOD2NOD1USP5
SCHEMBL10004324 0.87 ALOX5 (0.43) ALOX5HTR6NOD2NOD1USP5
SCHEMBL16188501 0.86 ALOX5 (0.39) ALOX5HTR6NOD2NOD1HTR2A

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 2600/4885HTR6 2507/4885DRD3 2923/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 ALOX5 643/4885HTR6 1210/4885DRD3 981/4885

“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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