SCHEMBL30534246

SCHEMBL30534246

Cc1nc2ncnc(C)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 1/20 0.46
▸ NUDT1 P36639 3/20 0.43
▸ ADORA3 P0DMS8 2/20 0.39
▸ KIT P10721 1/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ CSNK2A1 P68400 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ CCNE1 P24864 1/20 0.34

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
SCHEMBL11918991 0.81 NUDT1 (0.36) AKT2NUDT1ADORA2AADORA1PI4KA
SCHEMBL6360434 0.81 NUDT1 (0.36) AKT2NUDT1ADORA2AADORA1CHEK1
SCHEMBL320848 0.81 NUDT1 (0.43) AKT2NUDT1ADORA2AADORA1PI4KA
SCHEMBL30109321 0.78 NUDT1 (0.68) AKT2NUDT1ADORA2AADORA1HSP90AA1
SCHEMBL9544742 0.78 AKT2 (0.44) AKT2NUDT1ADORA3KITADORA2A
SCHEMBL8906323 0.78 AKT2 (0.44) AKT2NUDT1ADORA3KITADORA2A
SCHEMBL1059581 0.78 NUDT1 (0.68) AKT2NUDT1ADORA2AADORA1HSP90AA1
SCHEMBL3857164 0.78 AKT2 (0.44) AKT2NUDT1ADORA3KITADORA2A
SCHEMBL21305258 0.78 ADORA1 (0.50) AKT2NUDT1ADORA3ADORA2AADORA1
SCHEMBL6515018 0.74 AKT2 (0.44) AKT2NUDT1ADORA3KITADORA2A

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-20230234942-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-07-27 — — 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-20230234942-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, CLN6 AKT2 3059/4885NUDT1 802/4885ADORA3 2632/4885

“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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