SCHEMBL23774610

SCHEMBL23774610

CCCC(C)n1cnc2c(O)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.52
▸ ADORA2B P29275 2/20 0.52
▸ ADORA1 P30542 2/20 0.52
▸ ADA P00813 4/20 0.45
▸ PDE2A O00408 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ BLM P54132 1/20 0.44

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
SCHEMBL22946798 0.88 ADORA2A (0.68) ADORA2AADORA2BADORA1ADAPDE2A
SCHEMBL11243630 0.84 ADORA2A (0.51) ADORA2AADORA2BADORA1ADAPDE2A
SCHEMBL21539425 0.82 ADORA2A (0.78) ADORA2AADORA2BADORA1ADAPDE2A
SCHEMBL18751223 0.80 ADORA2A (0.64) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL22381514 0.79 CYP1A2 (0.55) ADORA2AADORA2BADORA1ADAPDE2A
Nosantine SCHEMBL11253031 0.77 ADA (0.76) ADAPDE2ACYP3A4PDE4APDE4B
Nosantine SCHEMBL1740450 0.76 PDE2A (0.77) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL22381495 0.74 ADORA2A (0.74) ADORA2AADORA2BADORA1ADAPDE2A
SCHEMBL21118434 0.72 ADORA2A (0.72) ADORA2AADORA2BADORA1ADAPDE2A
SCHEMBL15214191 0.72 ADORA2A (0.43) ADORA2AADORA2BADORA1ADAPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210251887-A1 INJECTABLE FORMULATIONS FOR TREATING CANCER Epizyme, Inc. 2021-08-19 — — US 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-20210251887-A1 INJECTABLE FORMULATIONS FOR TREATING CANCER DOT1L, PRMT1, MECP2 ADORA2A 2513/4885ADORA2B 2493/4885ADORA1 1185/4885

“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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