SCHEMBL21755914

SCHEMBL21755914

CCn1cnc2c(N)nc(N(C)C)nc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 3/20 0.67
▸ CCNB1 P14635 2/20 0.67
▸ CCNE1 P24864 2/20 0.67
▸ CDK2 P24941 2/20 0.67
▸ ADORA2A P29274 9/20 0.55
▸ ADORA1 P30542 7/20 0.55
▸ PI4KA P42356 2/20 0.55
▸ PI4K2B Q8TCG2 2/20 0.55
▸ PI4K2A Q9BTU6 2/20 0.55
▸ PI4KB Q9UBF8 2/20 0.55
▸ TMIGD3 P0DMS9 4/20 0.48
▸ ADORA2B P29275 3/20 0.48
▸ PRKCA P17252 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.45
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL30052639 0.81 CDK1 (0.44) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL23885478 0.81 CDK1 (0.44) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL7204383 0.80 PDE4A (0.62) CDK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL8767031 0.80 CCNE1 (1.00) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL763786 0.79 CDK1 (0.60) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5161756 0.79 CDK1 (0.73) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL15354451 0.79 CDK1 (0.73) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL26221278 0.78 ADORA2A (0.42) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL21451434 0.78 CDK1 (0.71) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL26349135 0.78 CDK1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 — — 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 (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-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885CCNB1 927/4885CCNE1 1040/4885

“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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