SCHEMBL1810783

SCHEMBL1810783

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N#Cc1cc[n+](N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 5/20 0.38
▸ HDAC8 Q9BY41 1/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ RAD51 Q06609 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33

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
SCHEMBL1823536 0.85 RAPGEF4 (0.49) RAPGEF4CA1CA2CA12CA9
SCHEMBL18759725 0.80 RAD51 (0.39) RAPGEF4HDAC8HSD11B1IDO1ALDH1A1
SCHEMBL1694111 0.79 RAPGEF4 (0.41) RAPGEF4ALDH1A1CA1CA2F2
SCHEMBL21835146 0.78 RAPGEF4 (0.55) RAPGEF4ALDH1A1F2PRSS1PRSS2
SCHEMBL5236778 0.78 LMNA (0.43) RAPGEF4ALDH1A1CA1CA2CA12
SCHEMBL22228647 0.77 RAPGEF4 (0.39) RAPGEF4ALDH1A1CA1CA2CA12
SCHEMBL12539750 0.77 CYP1A2 (0.43) RAPGEF4ALDH1A1CA1CA2BCHE
SCHEMBL9826998 0.77 RAPGEF4 (0.38) RAPGEF4HDAC8CA1CA2F2
SCHEMBL21355053 0.76 POLB (0.38) RAPGEF4ALDH1A1CA1CA2F2
SCHEMBL1693952 0.76 LMNA (0.40) RAPGEF4ALDH1A1CA1CA2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493895-B1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LTD (GB) 2017-04-26 — — EP disclosed
US-9206183-B2 Substituted pyrazolo[1,5-a]pyridines as JAK inhibitors ALMIRALL, S.A. (ES) 2015-12-08 — — US disclosed
US-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL SA (ES) 2015-04-30 — — US disclosed
US-8946257-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors VECTURA LIMITED (GB) 2015-02-03 — — US disclosed
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-03-27 — — US disclosed
US-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. 2013-10-31 — — US disclosed
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS BACH TANA JORDI (ES) 2013-08-15 — — US disclosed
US-8501735-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors PALAU PHARMA, S.A. (ES) 2013-08-06 — — US disclosed
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LIMITED (GB) 2013-05-23 — — US disclosed
WO-2013025628-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-02-21 — — WO disclosed
EP-2536728-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-12-26 — — EP disclosed
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS ALMANSA ROSALES CARMEN (ES) 2012-09-27 — — US disclosed
EP-2493895-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2012-09-05 — — EP disclosed
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 — — WO disclosed
EP-2360158-A1 Pyrazole derivatives as jak inhibitors Almirall, S.A. (ES) 2011-08-24 — — EP disclosed
WO-2011051452-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2011-05-05 — — WO disclosed
WO-2010074586-A1 PYRAZOLO[1,5-A]PYRIDINE AND IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-07-01 — — WO 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 (6 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-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 RAPGEF4 2966/4885HDAC8 2625/4885HSD11B1 4324/4885
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 RAPGEF4 2966/4885HDAC8 2625/4885HSD11B1 4324/4885
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 RAPGEF4 2966/4885HDAC8 2625/4885HSD11B1 4324/4885
US-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 RAPGEF4 2310/4885HDAC8 3498/4885HSD11B1 2516/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 RAPGEF4 3106/4885HDAC8 2328/4885HSD11B1 3191/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 RAPGEF4 3106/4885HDAC8 2328/4885HSD11B1 3191/4885

“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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