SCHEMBL3511591

SCHEMBL3511591

Cc1nc(Nc2sc(-c3c(F)cc(C(C)CO)cc3F)cc2C(N)=O)ccc1CNC(C)C(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.45
KCNH2 Q12809 3/20 0.45
JAK3 P52333 3/20 0.45

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
SCHEMBL3511585 0.90 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3675028 0.86 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3675279 0.84 JAK2 (0.43) JAK2KCNH2JAK3
SCHEMBL3672008 0.83 JAK2 (0.41) JAK2KCNH2JAK3
SCHEMBL3671676 0.82 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL13270335 0.81 JAK2 (0.40) JAK2KCNH2JAK3
SCHEMBL3676013 0.81 JAK2 (0.44) JAK2KCNH2JAK3
SCHEMBL3670396 0.80 JAK2 (0.50) JAK2KCNH2JAK3
SCHEMBL3674595 0.80 JAK2 (0.42) JAK2KCNH2JAK3
SCHEMBL3678337 0.79 JAK2 (0.64) 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 2 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-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US 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 1/4885KCNH2 1655/4885JAK3 2/4885

“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.