SCHEMBL17294012

SCHEMBL17294012

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(=O)N2CCNCCNCCNCC2)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.69
▸ ADORA2B P29275 5/20 0.69
▸ ADORA2A P29274 5/20 0.69
▸ ADORA1 P30542 4/20 0.69
▸ HSP90B1 P14625 5/20 0.68
▸ HSP90AA1 P07900 2/20 0.68
▸ TSHR P16473 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ TMIGD3 P0DMS9 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ PRKACA P17612 2/20 0.66
▸ ROCK2 O75116 1/20 0.66
▸ AHCY P23526 1/20 0.66
▸ METTL3 Q86U44 1/20 0.65
▸ METTL14 Q9HCE5 1/20 0.65

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
SCHEMBL17294000 0.95 PRKACA (0.69) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL17293999 0.94 PRKACA (0.73) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL17297714 0.94 PRKACA (0.73) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL17294035 0.94 PRKACA (0.75) HSP90B1PRKACAROCK2AHCYMETTL3
SCHEMBL17294015 0.94 PRKACA (0.75) HSP90B1PRKACAROCK2AHCYMETTL3
SCHEMBL17294023 0.93 PRKACA (0.73) HSP90B1PRKACAROCK2AHCYMETTL3
Trifluoromethanesulfonic Acid SCHEMBL18730518 0.92 ADORA3 (0.64) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL17293992 0.92 HSP90B1 (0.71) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL17294024 0.91 PRKACA (0.70) HSP90B1PRKACAROCK2AHCYMETTL3
SCHEMBL17294011 0.91 HSP90B1 (0.70) ADORA3ADORA2BADORA2AADORA1HSP90B1

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
WO-2015179955-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-12-03 — — WO 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 ADORA3 4605/4885ADORA2B 4493/4885ADORA2A 4363/4885
US-20170107247-A1 UBA5 INHIBITORS UBQLN2, UBTF, UBQLN1 ADORA3 4605/4885ADORA2B 4493/4885ADORA2A 4363/4885

“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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