SCHEMBL3507201

SCHEMBL3507201

CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(Cn4nccn4)n3)s2)c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.71
KCNH2 Q12809 3/20 0.71
JAK3 P52333 3/20 0.71

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
SCHEMBL3510076 0.90 JAK2 (0.69) JAK2KCNH2JAK3
SCHEMBL13270115 0.88 JAK2 (0.78) JAK2KCNH2JAK3
SCHEMBL3510635 0.87 JAK2 (0.68) JAK2KCNH2JAK3
SCHEMBL3513593 0.87 JAK2 (0.68) JAK2KCNH2JAK3
SCHEMBL3511408 0.87 JAK2 (0.80) JAK2KCNH2JAK3
SCHEMBL13117308 0.87 JAK2 (0.67) JAK2KCNH2JAK3
SCHEMBL3512442 0.86 JAK2 (0.67) JAK2KCNH2JAK3
SCHEMBL3509979 0.86 JAK2 (0.76) JAK2KCNH2JAK3
SCHEMBL3510210 0.86 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3509644 0.86 JAK2 (0.66) JAK2KCNH2JAK3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP claimed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US claimed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP claimed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO claimed
US-11066393-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2021-07-20 US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
US-20200299278-A1 INDOLIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-10710985-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2020-07-14 US disclosed
EP-3371168-B1 INDOLIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-05-27 EP disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
WO-2017076852-A1 INDOLIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-05-11 WO disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 WO disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 JAK2 617/4885KCNH2 1774/4885JAK3 3530/4885
US-10710985-B2 Indolin-2-one derivatives GRIN2B, GRIN2A, TPH2 JAK2 1966/4885KCNH2 1223/4885JAK3 1873/4885
US-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 JAK2 1/4885KCNH2 1655/4885JAK3 2/4885
US-11066393-B2 Indolin-2-one derivatives GRIN2B, GRIN2A, TPH2 JAK2 1966/4885KCNH2 1223/4885JAK3 1873/4885
US-20200299278-A1 INDOLIN-2-ONE DERIVATIVES GRIN2B, GRIN2A, TPH2 JAK2 1966/4885KCNH2 1223/4885JAK3 1873/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 JAK2 617/4885KCNH2 1774/4885JAK3 3530/4885

“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.