SCHEMBL23922180

SCHEMBL23922180

CN(C)Cn1nnc2c(=O)[nH]cnc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
HPRT1 P00492 7/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.34
PDPK1 O15530 1/20 0.34
PNP P00491 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20224894 0.83 ADORA2A (0.46) HPRT1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL21127684 0.80 HPRT1 (0.40) HPRT1ALDH1A1CYP1A2KMT2APNP
SCHEMBL21504444 0.75 PNP (0.54) KMT2APNP
SCHEMBL9476371 0.72 LMNA (0.53) ALDH1A1KMT2AADORA2A
SCHEMBL9477367 0.71 ADORA3 (0.46) ALDH1A1KMT2AADORA2AMAPT
SCHEMBL24434393 0.70 HPRT1 (0.40) HPRT1ALDH1A1KMT2APNP
SCHEMBL21637052 0.70 ALDH1A1 (0.39) HPRT1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL24499073 0.70 ALDH1A1 (0.39) HPRT1ALDH1A1PDPK1PNP
SCHEMBL9476624 0.70 TSHR (0.61) ALDH1A1KMT2AADORA2AMAPT
SCHEMBL9476477 0.70 MEN1 (0.62) ALDH1A1KMT2A

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-11149052-B2 2′3′-cyclic dinucleotides INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2021-10-19 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-11149052-B2 2′3′-cyclic dinucleotides STING1, MAVS, CGAS KDM4A 2951/4885KDM4B 3467/4885KDM5C 3331/4885

“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.