SCHEMBL3510550

SCHEMBL3510550

NC(=O)c1cc(-c2c(F)cc(N3CCOCC3)cc2F)sc1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
MAOA P21397 1/20 0.41
IKBKB O14920 2/20 0.41
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
STAT6 P42226 4/20 0.38
GPR183 P32249 1/20 0.38
PARP1 P09874 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PLAU P00749 1/20 0.37
LGMN Q99538 1/20 0.36
KCNH2 Q12809 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL3508661 0.83 MAPT (0.41) JAK2JAK1TYK2JAK3MAOA
SCHEMBL3507018 0.81 JAK2 (0.64) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL1428102 0.78 IKBKB (0.54) JAK2IKBKBPARP1ALDH1A1
SCHEMBL2769424 0.74 PARP1 (0.49) MAOAMAPK9MAPK10STAT6PARP1
SCHEMBL28190265 0.73 PRKDC (0.55) JAK2JAK1TYK2JAK3MAPK9
SCHEMBL1579141 0.71 JAK2 (0.55) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL5114797 0.71 IKBKB (0.50) JAK2JAK1TYK2JAK3MAOA
SCHEMBL1246906 0.70 JAK2 (0.48) JAK2JAK3IKBKBPARP1ALDH1A1
SCHEMBL2376896 0.69 LGMN (0.49) MAOAALDH1A1LGMN
SCHEMBL3674658 0.68 IKBKB (0.43) JAK2JAK3IKBKBALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US 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
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
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO 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 (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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 JAK2 1/4885JAK1 3/4885TYK2 5/4885

“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.