SCHEMBL18780733

SCHEMBL18780733

COc1ccc2cc1OCC/C=C/COCc1cc(ccc1N1CCOCC1)Nc1nccc-2n1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.65
FLT3 P36888 20/20 0.65
TYK2 P29597 18/20 0.65
JAK1 P23458 15/20 0.65
CDK2 P24941 11/20 0.57
CCNA2 P20248 10/20 0.57
CCNA1 P78396 10/20 0.57
JAK3 P52333 9/20 0.57
CYP2D6 P10635 1/20 0.57
KCNH2 Q12809 1/20 0.55

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
SCHEMBL1108257 0.95 JAK2 (0.65) JAK2FLT3TYK2JAK1CDK2
SCHEMBL1108249 0.90 JAK2 (0.72) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14538670 0.87 JAK2 (0.68) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14538611 0.84 JAK2 (0.67) JAK2FLT3TYK2JAK1CDK2
SCHEMBL1108240 0.84 JAK2 (0.82) JAK2FLT3TYK2JAK1CDK2
SCHEMBL1108237 0.84 JAK2 (0.82) JAK2FLT3TYK2JAK1CDK2
SCHEMBL1108244 0.83 JAK2 (0.77) JAK2FLT3TYK2JAK1CDK2
SCHEMBL1108284 0.83 JAK2 (0.73) JAK2FLT3TYK2JAK1CDK2
SCHEMBL1108289 0.83 JAK2 (0.73) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14538458 0.82 JAK2 (0.75) JAK2FLT3TYK2JAK1CDK2

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-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
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.