SCHEMBL13253271

SCHEMBL13253271

NCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.81
▸ JAK3 P52333 7/20 0.81
▸ CDK2 P24941 7/20 0.58
▸ JAK1 P23458 2/20 0.58
▸ TYK2 P29597 2/20 0.58
▸ HDAC1 Q13547 2/20 0.58
▸ BMPR1B O00238 1/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CIT O14578 1/20 0.58
▸ GAK O14976 1/20 0.58
▸ OPA1 O60313 1/20 0.58
▸ ROCK2 O75116 1/20 0.58
▸ STK16 O75716 1/20 0.58
▸ PRKD3 O94806 1/20 0.58
▸ CSNK2A2 P19784 1/20 0.58
▸ MARK3 P27448 1/20 0.58
▸ BMPR1A P36894 1/20 0.58
▸ TGFBR1 P36897 1/20 0.58
▸ STAT3 P40763 1/20 0.58
▸ STAT5A P42229 1/20 0.58

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
SCHEMBL2876736 0.90 JAK2 (1.00) JAK2JAK3CDK2JAK1TYK2
SCHEMBL30051976 0.90 JAK2 (1.00) JAK2JAK3CDK2JAK1TYK2
SCHEMBL13253338 0.89 JAK2 (0.81) JAK2JAK3CDK2JAK1TYK2
SCHEMBL13253729 0.85 JAK2 (0.65) JAK2JAK3CDK2JAK1TYK2
SCHEMBL13253183 0.84 JAK2 (0.79) JAK2JAK3CDK2JAK1TYK2
SCHEMBL13253913 0.84 JAK2 (0.64) JAK2JAK3CDK2JAK1TYK2
SCHEMBL30788215 0.83 JAK2 (0.78) JAK2JAK3CDK2JAK1TYK2
SCHEMBL27387422 0.83 JAK2 (0.78) JAK2JAK3CDK2JAK1TYK2
SCHEMBL13253260 0.82 JAK2 (0.80) JAK2JAK3CDK2JAK1TYK2
SCHEMBL4376890 0.82 JAK2 (0.69) JAK2JAK3CDK2JAK1TYK2

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 3/4885CDK2 84/4885

“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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