SCHEMBL3500349

SCHEMBL3500349

CCC(C(=O)O)n1cc(-c2ccc3nc(Nc4c(Cl)cc(C(C)(C)O)cc4Cl)c4cc[nH]c(=O)c4c3c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.59
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
CHEK1 O14757 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL3501381 0.86 JAK2 (0.66) JAK2CHEK1
SCHEMBL2879319 0.86 JAK2 (0.62) JAK2
SCHEMBL2863282 0.85 JAK2 (0.61) JAK2
SCHEMBL11981755 0.84 JAK2 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL2876054 0.81 JAK2 (0.58) JAK2JAK1CHEK1
SCHEMBL2869561 0.81 JAK2 (0.69) JAK2
SCHEMBL3502138 0.80 JAK2 (0.56) JAK2
SCHEMBL13249656 0.79 JAK2 (0.77) JAK2
SCHEMBL2864688 0.78 JAK2 (0.76) JAK2
SCHEMBL13249150 0.77 JAK2 (0.71) JAK2

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-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US claimed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US claimed

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 1/4885JAK1 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.