SCHEMBL18793221

SCHEMBL18793221

C1=C/COCc2cc(ccc2-c2cnc3nc2-c2cccc(c2)OC/C=C/COCc2cccc(c2)N3)Nc2nccc(n2)-c2cccc(c2)OCC/1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.63
▸ FLT3 P36888 20/20 0.63
▸ TYK2 P29597 14/20 0.63
▸ CDK2 P24941 14/20 0.63
▸ CCNA2 P20248 13/20 0.63
▸ CCNA1 P78396 13/20 0.63
▸ JAK1 P23458 10/20 0.63
▸ JAK3 P52333 3/20 0.56
▸ CCNE1 P24864 2/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ CCNK O75909 1/20 0.54
▸ STK10 O94804 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ EGFR P00533 1/20 0.54
▸ PRKCB P05771 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ RET P07949 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CCNB1 P14635 1/20 0.54

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
SCHEMBL21784434 0.96 JAK2 (0.70) JAK2FLT3TYK2CDK2CCNA2
SCHEMBL1108223 0.86 JAK2 (0.78) JAK2FLT3TYK2CDK2CCNA2
SCHEMBL21784408 0.85 JAK2 (0.74) JAK2FLT3TYK2CDK2CCNA2
SCHEMBL1108225 0.83 JAK2 (0.71) JAK2FLT3TYK2CDK2CCNA2
SCHEMBL1108219 0.83 JAK2 (0.71) JAK2FLT3TYK2CDK2CCNA2
SCHEMBL23079067 0.80 JAK2 (0.69) JAK2FLT3TYK2CDK2CCNA2
SCHEMBL11955406 0.79 JAK2 (1.00) JAK2FLT3TYK2CDK2CCNA2
SCHEMBL1108230 0.79 JAK2 (1.00) JAK2FLT3TYK2CDK2CCNA2
SCHEMBL1108228 0.79 JAK2 (1.00) JAK2FLT3TYK2CDK2CCNA2
SCHEMBL23079068 0.79 JAK2 (0.64) JAK2FLT3TYK2CDK2CCNA2

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-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 — — 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-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 JAK2 468/4885FLT3 645/4885TYK2 960/4885

“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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