SCHEMBL1823536

SCHEMBL1823536

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 6/20 0.49
▸ F2 P00734 3/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 3/20 0.39
▸ PRSS3 P35030 3/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GFER P55789 1/20 0.35

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
SCHEMBL1694111 0.86 RAPGEF4 (0.41) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL5236778 0.86 LMNA (0.43) RAPGEF4FFAR4CA1CA2MMP1
SCHEMBL21835146 0.86 RAPGEF4 (0.55) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL9826998 0.85 RAPGEF4 (0.38) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL22228647 0.85 RAPGEF4 (0.39) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL1810783 0.85 RAPGEF4 (0.38) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL12539750 0.85 CYP1A2 (0.43) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL21355053 0.84 POLB (0.38) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL1693952 0.83 LMNA (0.40) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL5384451 0.82 RAPGEF4 (0.41) RAPGEF4F2PRSS1PRSS2PRSS3

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-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2020-09-01 — — US disclosed
US-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2018-06-14 — — US disclosed
EP-3307272-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS Almirall, S.A. (ES) 2018-04-18 — — EP disclosed
EP-2493895-B1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LTD (GB) 2017-04-26 — — EP disclosed
WO-2016198663-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2016-12-15 — — WO disclosed
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 — — WO disclosed
US-8946257-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors VECTURA LIMITED (GB) 2015-02-03 — — US disclosed
US-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. 2013-10-31 — — 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
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-2011051452-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2011-05-05 — — 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 (5 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 2966/4885F2 2858/4885PRSS1 3624/4885
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 RAPGEF4 2966/4885F2 2858/4885PRSS1 3624/4885
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 RAPGEF4 2966/4885F2 2858/4885PRSS1 3624/4885
US-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK2, JAK3, JAK1 RAPGEF4 2398/4885F2 1681/4885PRSS1 2042/4885
US-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors JAK2, JAK3, JAK1 RAPGEF4 2398/4885F2 1681/4885PRSS1 2042/4885

“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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