SCHEMBL20224906

SCHEMBL20224906

CC(C)n1cc(Cl)c2c(=O)[nH]cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
PARP1 P09874 3/20 0.41
SRC P12931 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ADORA2B P29275 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
RET P07949 2/20 0.35
KDR P35968 1/20 0.35
MTOR P42345 1/20 0.35
RICTOR Q6R327 1/20 0.35
RPTOR Q8N122 1/20 0.35
MAPKAP1 Q9BPZ7 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
KMT2A Q03164 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
SCHEMBL23228188 0.88 CDK2 (0.40) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20224910 0.81 PARP1 (0.41) PARP1SRCALDH1A1ADORA2BMAPT
SCHEMBL20224898 0.79 CDK2 (0.44) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL24218741 0.75 CDK2 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL14266534 0.72 ALDH1A1 (0.47) PARP1SRCALDH1A1ADORA2BMAPT
SCHEMBL23228148 0.72 ADORA2A (0.36) ADORA2BLMNALRRK2
SCHEMBL6363939 0.71 KDR (0.53) SRCADORA2BRETKDRMTOR
SCHEMBL25809396 0.70 PARP1 (0.39) PARP1SRCALDH1A1ADORA2BMAPT
SCHEMBL784333 0.69 ADORA2A (0.51) CCNE1CDK2ALDH1A1ADORA2BLMNA
SCHEMBL21137166 0.68 PARP1 (0.37) PARP1SRCALDH1A1ADORA2BMAPT

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 10 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-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
WO-2021216572-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 WO 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-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 US disclosed
EP-3512861-B1 CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-02-17 EP disclosed
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-21 US disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 US disclosed
WO-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 WO 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 (7 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 CCNE2 4882/4885CDK4 4865/4885CCND1 4877/4885
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS CCNE2 4882/4885CDK4 4865/4885CCND1 4877/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS CCNE2 4828/4885CDK4 4770/4885CCND1 4846/4885
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING STING1, CGAS, TBK1 CCNE2 4863/4885CDK4 4804/4885CCND1 4862/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS CCNE2 4828/4885CDK4 4770/4885CCND1 4846/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS CCNE2 4828/4885CDK4 4770/4885CCND1 4846/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS CCNE2 4882/4885CDK4 4865/4885CCND1 4877/4885

“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.