SCHEMBL10003780

SCHEMBL10003780

Cc1ccc(S(=O)(=O)n2cccc2C(=O)CC#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 3/20 0.51
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ RECQL P46063 2/20 0.40
▸ PPME1 Q9Y570 5/20 0.39
▸ GLA P06280 1/20 0.38
▸ APEH P13798 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ VEGFA P15692 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL10448997 0.82 RAPGEF4 (0.55) RAPGEF4CA1CA2CYP2C9L3MBTL1
Hydrochloric Acid SCHEMBL15974393 0.79 RAPGEF4 (0.51) RAPGEF4CA1CA2CYP2C9L3MBTL1
SCHEMBL16540512 0.79 RAPGEF4 (0.56) RAPGEF4CA1CA2CYP2C9L3MBTL1
SCHEMBL14005234 0.79 RAPGEF4 (0.56) RAPGEF4CA1CA2CYP2C9L3MBTL1
SCHEMBL10003393 0.79 CA1 (0.40) RAPGEF4CA1CA2L3MBTL1GLA
SCHEMBL15974465 0.77 RAPGEF4 (0.49) RAPGEF4CA1CA2CYP2C9L3MBTL1
SCHEMBL10003744 0.76 NOD2 (0.57) RAPGEF4CA1CA2CYP2C9L3MBTL1
SCHEMBL26054490 0.75 RAPGEF4 (0.52) RAPGEF4CA1CA2CYP2C9L3MBTL1
SCHEMBL16539947 0.75 RAPGEF4 (0.52) RAPGEF4CA1CA2CYP2C9L3MBTL1
SCHEMBL10002696 0.74 ALOX5 (0.59) L3MBTL1

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 RAPGEF4 2738/4885CA1 3953/4885CA2 466/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 RAPGEF4 4081/4885CA1 2067/4885CA2 460/4885

“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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