SCHEMBL3501388

SCHEMBL3501388

Cc1cc(C)c(S(C)(=O)=O)cc1Nc1nc2ccc(F)cc2c2c(=O)[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.55
KCNH2 Q12809 1/20 0.41
CHEK1 O14757 1/20 0.40
IKBKB O14920 1/20 0.40
MAPK13 O15264 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
FYN P06241 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL2864829 0.93 JAK2 (0.54) JAK2KCNH2CHEK1IKBKBMAPK13
SCHEMBL3501760 0.87 JAK2 (0.62) JAK2KCNH2
SCHEMBL2877648 0.86 JAK2 (0.52) JAK2JAK1MAPK1
SCHEMBL2875525 0.85 JAK2 (0.50) JAK2
SCHEMBL11981771 0.83 JAK2 (0.48) JAK2
SCHEMBL2863284 0.82 POLB (0.51) JAK2CHEK1
SCHEMBL2863313 0.81 JAK2 (0.56) JAK2KCNH2CHEK1IKBKBMAPK13
SCHEMBL2868518 0.81 JAK2 (0.56) JAK2KCNH2
SCHEMBL2865380 0.81 JAK2 (0.44) JAK2KCNH2
SCHEMBL11981770 0.81 JAK2 (0.53) JAK2KCNH2CHEK1IKBKBMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US claimed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 EP claimed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US claimed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 EP disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 EP disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 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 (1 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-20100197634-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 JAK2 1/4885KCNH2 1655/4885CHEK1 740/4885

“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.