SCHEMBL20142519

SCHEMBL20142519

COC(=N)c1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 8/20 0.66
DOT1L Q8TEK3 1/20 0.66
DCLK1 O15075 1/20 0.66
DAPK3 O43293 1/20 0.66
DYRK3 O43781 1/20 0.66
CDK1 P06493 1/20 0.66
ROS1 P08922 1/20 0.66
RPS6KB1 P23443 1/20 0.66
CDK2 P24941 1/20 0.66
FLT3 P36888 1/20 0.66
CSNK1A1 P48729 1/20 0.66
CSNK1D P48730 1/20 0.66
CLK2 P49760 1/20 0.66
IRAK1 P51617 1/20 0.66
CDK5 Q00535 1/20 0.66
DYRK1A Q13627 1/20 0.66
MELK Q14680 1/20 0.66
NTRK3 Q16288 1/20 0.66
HIPK4 Q8NE63 1/20 0.66
SLK Q9H2G2 1/20 0.66

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
Water SCHEMBL11845844 0.99 ADK (0.64) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL11845729 0.88 ADK (0.72) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL11840629 0.84 ADK (0.72) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL20142559 0.84 ATG7 (0.73) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL20141857 0.84 ATG7 (0.73) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL11846298 0.83 ADK (0.71) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL11841006 0.83 ATG7 (0.73) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL20141562 0.82 ADK (0.77) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL20141963 0.82 ADK (0.77) ADKDOT1LDCLK1DAPK3DYRK3
Water SCHEMBL11843143 0.80 ADK (0.67) ADKDOT1LDCLK1DAPK3DYRK3

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-10865208-B2 ATG7 inhibitors and the uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
WO-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 WO 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-10865208-B2 ATG7 inhibitors and the uses thereof ATG7, BECN1, SQSTM1 ADK 2059/4885DOT1L 272/4885DCLK1 2169/4885

“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.