SCHEMBL2953126

SCHEMBL2953126

Nc1nc(N)n(C2CCCCC2)c2ncnc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.47
▸ ADORA3 P0DMS8 5/20 0.47
▸ ADORA1 P30542 5/20 0.47
▸ ADORA2B P29275 3/20 0.44
▸ PRKACA P17612 6/20 0.41
▸ GSK3B P49841 6/20 0.41
▸ ROCK1 Q13464 5/20 0.41
▸ RPS6KB1 P23443 4/20 0.41
▸ PI4KA P42356 3/20 0.40
▸ PI4K2B Q8TCG2 3/20 0.40
▸ PI4K2A Q9BTU6 3/20 0.40
▸ PI4KB Q9UBF8 3/20 0.40
▸ HCAR1 Q9BXC0 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL2945103 0.85 RET (0.36) ADORA2AADORA3ADORA1ADORA2BPRKACA
SCHEMBL2948983 0.67 ADORA2A (0.37) ADORA2AADORA3ADORA1ADORA2BGSK3B
SCHEMBL8978388 0.66 ALDH1A1 (0.37) ADORA2AADORA3ADORA1HCAR1KDM4E
SCHEMBL2030108 0.66 ADORA2A (0.35) ADORA2AADORA3ADORA1ADORA2BPRKACA
Hydrochloric Acid SCHEMBL27338760 0.65 ALDH1A1 (0.37) ADORA2AADORA3ADORA1HCAR1KDM4E
SCHEMBL31061173 0.64 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL28495220 0.64 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2BPRKACA
Hydrochloric Acid SCHEMBL9377636 0.62 ALDH1A1 (0.46) HCAR1KDM4EALDH1A1MAPTGFER
SCHEMBL5778683 0.61 PDE4B (0.54) PRKACAGSK3BROCK1RPS6KB1HCAR1
SCHEMBL5732265 0.61 ADORA2A (0.69) ADORA2AADORA3ADORA1ADORA2BPRKACA

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
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 — — WO claimed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 — — 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ADORA2A 1259/4885ADORA3 1744/4885ADORA1 2771/4885

“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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