SCHEMBL19661692

SCHEMBL19661692

CCC(C)n1cnc2c(NC)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.64
▸ ADORA2B P29275 2/20 0.64
▸ ADORA1 P30542 2/20 0.64
▸ CCNB2 O95067 10/20 0.56
▸ CDK1 P06493 10/20 0.56
▸ CCNB1 P14635 10/20 0.56
▸ CCNB3 Q8WWL7 10/20 0.56
▸ YTHDC1 Q96MU7 2/20 0.55
▸ CDK2 P24941 2/20 0.51
▸ PDE5A O76074 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ PDE1A P54750 1/20 0.44
▸ PDE1B Q01064 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE1C Q14123 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ P2RY1 P47900 1/20 0.43

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
SCHEMBL756298 0.84 YTHDC1 (0.62) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL21943153 0.83 CDK1 (0.61) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL21128138 0.81 YTHDC1 (0.58) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL21316709 0.80 CDK1 (0.81) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL23867105 0.80 ADORA2A (0.69) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL240049 0.78 ADORA2A (1.00) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL4572183 0.78 ADORA2A (1.00) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL22946798 0.78 ADORA2A (0.68) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL233401 0.78 ADORA2A (1.00) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL26354839 0.77 CDK1 (0.72) ADORA2AADORA2BADORA1CCNB2CDK1

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-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 — — US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 — — 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-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA2B 3586/4885ADORA1 2913/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA2B 3586/4885ADORA1 2913/4885

“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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