SCHEMBL17297709

SCHEMBL17297709

COC(CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.58
▸ PI4K2B Q8TCG2 1/20 0.58
▸ PI4K2A Q9BTU6 1/20 0.58
▸ PI4KB Q9UBF8 1/20 0.58
▸ HSP90B1 P14625 5/20 0.56
▸ ADORA3 P0DMS8 7/20 0.55
▸ ADORA2B P29275 5/20 0.55
▸ ADORA2A P29274 5/20 0.55
▸ HSP90AA1 P07900 3/20 0.55
▸ ADORA1 P30542 3/20 0.55
▸ TSHR P16473 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ TMIGD3 P0DMS9 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ AHCY P23526 2/20 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
SCHEMBL13901807 0.87 ADORA3 (0.71) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL13689761 0.87 ADORA3 (0.71) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL22332144 0.84 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL20925696 0.84 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL20925712 0.84 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL22342582 0.83 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL29417473 0.83 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL22354943 0.83 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL22354945 0.83 ADORA3 (0.60) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL20580185 0.81 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBHSP90B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077284-B2 UBA5 inhibitors THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2018-09-18 — — US disclosed
US-20170107247-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-20 — — US disclosed
US-20170107247-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-20 — — US disclosed
US-20170107247-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-20 — — US disclosed
WO-2015179955-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-12-03 — — 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 (2 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-10077284-B2 UBA5 inhibitors UBQLN2, UBTF, UBQLN1 PI4KA 1575/4885PI4K2B 1568/4885PI4K2A 2218/4885
US-20170107247-A1 UBA5 INHIBITORS UBQLN2, UBTF, UBQLN1 PI4KA 1575/4885PI4K2B 1568/4885PI4K2A 2218/4885

“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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