SCHEMBL29311430

SCHEMBL29311430

CCn1c(=O)n(C)c2ccc(C#N)nc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.43
CYP1A2 P05177 1/20 0.41
ADORA2A P29274 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MAPT P10636 1/20 0.37
ADORA2B P29275 1/20 0.35
DGKZ Q13574 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL29311431 0.83 PDE3B (0.44) GRM2CYP1A2ADORA2B
SCHEMBL28659735 0.77 PDE4A (0.41) GRM2ADORA2APDE4APDE4BPDE4C
SCHEMBL29310486 0.77 ADORA2B (0.38) ADORA2BDGKZ
SCHEMBL29311703 0.72 PIK3CA (0.41) ADORA2APDE4BPDE4DDGKZ
SCHEMBL27252322 0.71 GSK3B (0.37) ADORA2APDE4BPDE4DDGKZ
SCHEMBL29310609 0.70 GSK3B (0.36) ADORA2APDE4BPDE4DDGKZ
SCHEMBL27266102 0.70 PTGER4 (0.51) GRM2CYP1A2ADORA2APDE4APDE4B
SCHEMBL24390568 0.69 PDE10A (0.48) CYP1A2ADORA2APDE4APDE4BPDE4C
SCHEMBL27780814 0.69 CDK4 (0.46) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL19231460 0.68 CDC7 (0.44) ADORA1

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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 GRM2 4674/4885CYP1A2 1091/4885ADORA2A 1546/4885

“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.