SCHEMBL22694587

SCHEMBL22694587

Cc1cncc(Cn2cnc3c(N)nc(C)nc32)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ PDE8A O60658 9/20 0.43
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ HSP90AA1 P07900 5/20 0.37
▸ HSP90AB1 P08238 5/20 0.37
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4K2B Q8TCG2 1/20 0.35
▸ PI4K2A Q9BTU6 1/20 0.35
▸ PI4KB Q9UBF8 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
SCHEMBL21073962 0.83 CDK1 (0.44) CDK1CCNB1CCNE1CDK2PDE8A
SCHEMBL15354451 0.75 CDK1 (0.73) CDK1CCNB1CCNE1CDK2PDE8A
SCHEMBL5731732 0.74 PDE4A (0.66) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL22694586 0.73 CDK1 (0.46) CDK1CCNB1CCNE1CDK2PDE8A
SCHEMBL232387 0.73 ADORA2A (0.62) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL24338022 0.72 CDK1 (0.50) CDK1CCNB1CCNE1CDK2PDE8A
SCHEMBL13766331 0.72 CDK1 (0.50) CDK1CCNB1CCNE1CDK2PDE8A
SCHEMBL179425 0.72 PI4KA (0.63) CDK1CCNB1CCNE1CDK2PDE8A
SCHEMBL12769342 0.71 ADORA2A (0.49) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19553543 0.70 ADORA2A (0.58) CDK1CCNB1CCNE1CDK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease MITOKININ, INC. (US) 2021-04-15 — — US disclosed
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ LLC (US) 2020-12-01 — — 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 (2 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-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease NLN, NME4, COQ8A CDK1 2214/4885CCNB1 3687/4885CCNE1 4592/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A CDK1 2214/4885CCNB1 3687/4885CCNE1 4592/4885

“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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