SCHEMBL26795972

SCHEMBL26795972

N#Cc1cccc(-c2nc(N)nc(N)c2C=N)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.59
▸ ADORA1 P30542 10/20 0.59
▸ ADORA2B P29275 5/20 0.45
▸ DHFR P00374 2/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ ATR Q13535 1/20 0.40

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
SCHEMBL27612525 0.79 ADORA2A (0.63) ADORA2AADORA1ADORA2BDHFRMAP4K4
SCHEMBL12137467 0.74 ADORA1 (0.59) ADORA2AADORA1ADORA2BXDHCLK4
SCHEMBL12137656 0.73 ADORA2A (0.55) ADORA2AADORA1DHFRATR
SCHEMBL1358503 0.71 ADORA2A (0.60) ADORA2AADORA1ADORA2BDHFRXDH
SCHEMBL12135604 0.71 ADORA1 (0.60) ADORA2AADORA1ADORA2BCLK4
SCHEMBL23173618 0.71 ADORA2A (0.68) ADORA2AADORA1ADORA2BMAP4K4XDH
SCHEMBL23162046 0.71 ADORA2A (0.68) ADORA2AADORA1ADORA2BMAP4K4XDH
SCHEMBL2323007 0.70 ADORA2A (0.72) ADORA2AADORA1ADORA2B
SCHEMBL12135555 0.70 ADORA2A (0.58) ADORA2AADORA1ADORA2BDHFRATR
SCHEMBL3365760 0.69 ADORA2A (0.58) ADORA2AADORA1ADORA2BDHFRMAP4K4

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-11806350-B2 Prevention and/or treatment of CNS disorders ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-07 — — 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-11806350-B2 Prevention and/or treatment of CNS disorders ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885ADORA2B 3/4885

“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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