SCHEMBL22326757

SCHEMBL22326757

NC(N)Cn1cnc2c(NCCO)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.62
▸ ADORA2A P29274 8/20 0.46
▸ ADORA1 P30542 6/20 0.46
▸ TMIGD3 P0DMS9 4/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ AHCY P23526 1/20 0.46
▸ P2RY1 P47900 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CCNB2 O95067 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL22326729 0.82 ADORA2A (0.66) HTTADORA2AADORA1TMIGD3ADORA2B
SCHEMBL18520987 0.79 HTT (0.58) HTTADORA2AADORA1TMIGD3ADORA2B
SCHEMBL21137281 0.78 CDK1 (0.57) HTTADORA2AADORA1TMIGD3ADORA2B
SCHEMBL18520056 0.76 YTHDC1 (0.61) HTTADORA2AADORA1TMIGD3PKM
SCHEMBL18510350 0.75 CDK1 (0.71) HTTADORA2AADORA1ADORA2BCCNB2
SCHEMBL21943153 0.73 CDK1 (0.61) HTTADORA2AADORA1TMIGD3ADORA2B
SCHEMBL29371602 0.70 CYP3A4 (0.53) HTTPKMCDK1ALDH1A1RAB9A
SCHEMBL22326727 0.70 ADORA2A (0.69) HTTADORA2AADORA1TMIGD3ADORA2B
SCHEMBL14479818 0.69 CCNB2 (0.48) HTTADORA2AADORA1TMIGD3ADORA2B
SCHEMBL29389154 0.69 CCNB2 (0.48) HTTADORA2AADORA1TMIGD3ADORA2B

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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 HTT 4646/4885ADORA2A 72/4885ADORA1 36/4885

“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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