SCHEMBL18780727

SCHEMBL18780727

CCN(CC)CCOc1ccc2cc1OCC/C=C/CCOc1cc(ccc1OC)-c1ccnc(n1)N2

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.60
FLT3 P36888 20/20 0.60
CDK2 P24941 14/20 0.60
CCNA2 P20248 13/20 0.60
CCNA1 P78396 13/20 0.60
TYK2 P29597 11/20 0.54
JAK1 P23458 7/20 0.54
JAK3 P52333 5/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL18780731 1.00 JAK2 (0.60) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL1108238 0.90 JAK2 (0.70) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL1108234 0.90 JAK2 (0.70) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL823861 0.89 JAK2 (0.79) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL18780732 0.89 JAK2 (0.76) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL18780737 0.85 JAK2 (0.61) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL11955393 0.84 JAK2 (0.65) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL1108243 0.83 JAK2 (0.74) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL1108235 0.78 JAK2 (0.79) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL823935 0.77 JAK2 (0.77) JAK2FLT3CDK2CCNA2CCNA1

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 645/4885CDK2 9/4885

“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.