SCHEMBL21137281

SCHEMBL21137281

CC(N)n1cnc2c(NCCO)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 12/20 0.57
▸ CCNB1 P14635 11/20 0.57
▸ CCNB2 O95067 10/20 0.57
▸ CCNB3 Q8WWL7 10/20 0.57
▸ HTT P42858 1/20 0.52
▸ CDK2 P24941 4/20 0.50
▸ ADORA2A P29274 3/20 0.45
▸ ADORA2B P29275 3/20 0.45
▸ ADORA1 P30542 3/20 0.45
▸ 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
▸ MAPK8 P45983 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) CDK1CCNB1CCNB2CCNB3HTT
SCHEMBL21539482 0.88 CCNB2 (0.66) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL21943153 0.86 CDK1 (0.61) CDK1CCNB1CCNB2CCNB3HTT
SCHEMBL21128138 0.80 YTHDC1 (0.58) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL18520987 0.79 HTT (0.58) CDK1CCNB1CCNB2CCNB3HTT
SCHEMBL18520056 0.79 YTHDC1 (0.61) CDK1CCNB1CCNB2CCNB3HTT
SCHEMBL22326757 0.78 HTT (0.62) CDK1CCNB1CCNB2CCNB3HTT
SCHEMBL18521194 0.76 CCNB2 (0.82) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL22326729 0.76 ADORA2A (0.66) CDK1CCNB1CCNB2CCNB3HTT
SCHEMBL16707340 0.74 CDK1 (0.67) CDK1CCNB1CCNB2CCNB3CDK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 — — US disclosed
US-20210137962-A9 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 — — US disclosed
US-10980825-B2 Cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-20 — — US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 — — 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 (5 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS CDK1 4739/4885CCNB1 4816/4885CCNB2 4833/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS CDK1 4501/4885CCNB1 4771/4885CCNB2 4744/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS CDK1 4501/4885CCNB1 4771/4885CCNB2 4744/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS CDK1 4501/4885CCNB1 4771/4885CCNB2 4744/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 CDK1 1642/4885CCNB1 2975/4885CCNB2 2974/4885

“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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