SCHEMBL22799322

SCHEMBL22799322

NC[C@@H]1COC(n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 3/20 0.59
▸ ADORA2A P29274 2/20 0.59
▸ DOT1L Q8TEK3 2/20 0.59
▸ DPP4 P27487 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ SLC28A1 O00337 1/20 0.59
▸ MAP3K7 O43318 1/20 0.59
▸ SLC28A2 O43868 1/20 0.59
▸ GAPDH P04406 1/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ADORA1 P30542 1/20 0.59
▸ STAT6 P42226 1/20 0.59
▸ PI4KA P42356 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ PI4K2B Q8TCG2 1/20 0.59
▸ SLC29A1 Q99808 1/20 0.59
▸ PI4K2A Q9BTU6 1/20 0.59
▸ SLC28A3 Q9HAS3 1/20 0.59

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
SCHEMBL22798847 0.91 AHCY (0.65) ADORA2BADORA2ADOT1LDPP4MEN1
SCHEMBL22797508 0.91 AHCY (0.65) ADORA2BADORA2ADOT1LDPP4MEN1
SCHEMBL7151376 0.87 AHCY (0.63) ADORA2BADORA2ADOT1LDPP4MEN1
SCHEMBL22797512 0.86 ADORA3 (0.64) ADORA2BADORA2ADOT1LDPP4MEN1
SCHEMBL6672533 0.86 ADORA3 (0.64) ADORA2BADORA2ADOT1LDPP4MEN1
SCHEMBL23982071 0.86 ADORA3 (0.64) ADORA2BADORA2ADOT1LDPP4MEN1
SCHEMBL2983119 0.86 ADORA3 (0.64) ADORA2BADORA2ADOT1LDPP4MEN1
SCHEMBL22799279 0.86 ADORA3 (0.64) ADORA2BADORA2ADOT1LDPP4MEN1
SCHEMBL9921152 0.84 ADORA3 (0.67) ADORA2BADORA2ADOT1LDPP4MEN1
SCHEMBL14602390 0.84 ADORA3 (0.67) ADORA2BADORA2ADOT1LDPP4MEN1

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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 — — US disclosed
WO-2020249663-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 — — 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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES NME2, SLC28A1, SLC28A2 ADORA2B 680/4885ADORA2A 148/4885DOT1L 4502/4885

“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.

Send feedback