SCHEMBL21137236

SCHEMBL21137236

CC(N)c1nnc2c(=O)[nH]ccn12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
BRD4 O60885 1/20 0.34
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30

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
SCHEMBL18510357 0.87 ADORA3 (0.42) ADORA3BRD4
SCHEMBL22326718 0.81 ADORA3 (0.39) ADORA3BRD4
SCHEMBL18519546 0.74 ADORA3 (0.44) ADORA3BRD4AKT1AKT2
SCHEMBL21137626 0.70 ADORA3 (0.42) ADORA3BRD4
SCHEMBL24236941 0.70 ADORA3 (0.42) ADORA3BRD4AKT1AKT2
SCHEMBL23476796 0.70 ADORA3 (0.42) ADORA3BRD4
SCHEMBL21539430 0.70 ADORA3 (0.42) ADORA3BRD4AKT1AKT2
SCHEMBL23619260 0.70 ADORA3 (0.42) ADORA3BRD4
SCHEMBL17674862 0.68 GRIN2D (0.41) ADORA3BRD4
SCHEMBL24968165 0.62 PDE9A (0.39) BRD4

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 6 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-11376272-B2 Methods of modulating immune activity FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-07-05 US disclosed
US-20210299155-A1 METHODS OF MODULATING IMMUNE ACTIVITY FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-30 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-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 (6 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-11376272-B2 Methods of modulating immune activity STING1, IRF3, CGAS ADORA3 37/4885BRD4 2064/4885AKT1 1671/4885
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS ADORA3 579/4885BRD4 2312/4885AKT1 2404/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS ADORA3 648/4885BRD4 2126/4885AKT1 1584/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS ADORA3 648/4885BRD4 2126/4885AKT1 1584/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS ADORA3 648/4885BRD4 2126/4885AKT1 1584/4885
US-20210299155-A1 METHODS OF MODULATING IMMUNE ACTIVITY STING1, IRF3, CGAS ADORA3 38/4885BRD4 2551/4885AKT1 1869/4885

“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.