SCHEMBL13253185

SCHEMBL13253185

COc1cc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C)ccc1C(=O)NCN

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.61
▸ JAK3 P52333 9/20 0.61
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ JAK1 P23458 2/20 0.52
▸ PKMYT1 Q99640 2/20 0.51
▸ STAT6 P42226 2/20 0.50
▸ TYK2 P29597 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ LCK P06239 1/20 0.47

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
SCHEMBL2853691 0.91 JAK2 (0.75) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL2860948 0.88 JAK2 (0.66) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL16478873 0.88 JAK2 (0.68) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL2879211 0.88 JAK2 (0.66) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL13253912 0.85 JAK2 (0.82) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL13253275 0.85 JAK2 (0.81) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL13253910 0.84 JAK2 (0.62) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL13253186 0.83 JAK2 (0.81) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL2859057 0.80 JAK2 (0.63) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL30053325 0.80 JAK2 (0.63) JAK2JAK3HDAC1HDAC6JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 — — 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-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885HDAC1 4202/4885

“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.

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