SCHEMBL20141657

SCHEMBL20141657

CO[C@@H](C)c1nn([C@@H]2O[C@H](CO)[C@H]3OC(C)(C)O[C@H]32)c2ncnc(N)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
ATG7 O95352 10/20 0.47
ADK P55263 4/20 0.46
DOT1L Q8TEK3 1/20 0.46
DCLK1 O15075 1/20 0.46
DAPK3 O43293 1/20 0.46
DYRK3 O43781 1/20 0.46
CDK1 P06493 1/20 0.46
ROS1 P08922 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
IRAK1 P51617 1/20 0.46
CDK5 Q00535 1/20 0.46

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
SCHEMBL20141659 1.00 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBATG7
SCHEMBL22758828 1.00 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBATG7
SCHEMBL20142081 0.91 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBATG7
SCHEMBL22758816 0.90 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBATG7
SCHEMBL22758830 0.90 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBATG7
SCHEMBL20141644 0.90 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBATG7
SCHEMBL20142479 0.89 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBATG7
SCHEMBL20142135 0.86 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBATG7
SCHEMBL22758776 0.86 ATG7 (0.62) ATG7RXFP1
SCHEMBL20141916 0.86 ATG7 (0.44) PI4KAPI4K2BPI4K2API4KBATG7

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 PI4KA 1861/4885PI4K2B 1416/4885PI4K2A 1908/4885

“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.