SCHEMBL21943153

SCHEMBL21943153

CCC(C)n1cnc2c(NCCO)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 12/20 0.61
▸ CCNB1 P14635 11/20 0.61
▸ CCNB2 O95067 10/20 0.61
▸ CCNB3 Q8WWL7 10/20 0.61
▸ ADORA2A P29274 3/20 0.58
▸ ADORA1 P30542 3/20 0.58
▸ ADORA2B P29275 2/20 0.58
▸ HTT P42858 1/20 0.52
▸ CDK2 P24941 4/20 0.50
▸ TMIGD3 P0DMS9 2/20 0.43
▸ CSNK1D P48730 2/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ HIPK4 Q8NE63 1/20 0.43
▸ SRPK1 Q96SB4 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL18510350 0.89 CDK1 (0.71) CDK1CCNB1CCNB2CCNB3ADORA2A
SCHEMBL21137281 0.86 CDK1 (0.57) CDK1CCNB1CCNB2CCNB3ADORA2A
SCHEMBL19661692 0.83 ADORA2A (0.64) CDK1CCNB1CCNB2CCNB3ADORA2A
SCHEMBL22326729 0.79 ADORA2A (0.66) CDK1CCNB1CCNB2CCNB3ADORA2A
SCHEMBL18521194 0.79 CCNB2 (0.82) CDK1CCNB1CCNB2CCNB3ADORA2A
SCHEMBL18520056 0.79 YTHDC1 (0.61) CDK1CCNB1CCNB2CCNB3ADORA2A
SCHEMBL21316709 0.78 CDK1 (0.81) CDK1CCNB1CCNB2CCNB3ADORA2A
SCHEMBL22946798 0.77 ADORA2A (0.68) CDK1CCNB1CCNB2CCNB3ADORA2A
SCHEMBL21539482 0.77 CCNB2 (0.66) CDK1CCNB1CCNB2CCNB3ADORA2A
SCHEMBL18520987 0.76 HTT (0.58) CDK1CCNB1CCNB2CCNB3ADORA2A

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-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — 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-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS CDK1 1503/4885CCNB1 3518/4885CCNB2 3381/4885

“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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