SCHEMBL763786

SCHEMBL763786

CN(C)c1nc(N)c2ncn(C)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.60
▸ ADORA2A P29274 3/20 0.51
▸ ADORA1 P30542 3/20 0.51
▸ CCNB1 P14635 3/20 0.42
▸ CCNE1 P24864 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.40
▸ YTHDC1 Q96MU7 2/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL757119 0.79 CDK2 (0.67) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL21755914 0.79 CDK1 (0.67) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL129642 0.78 CDK1 (0.68) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL4402870 0.77 CDK1 (0.66) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL14131868 0.75 CDK1 (0.64) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL129640 0.75 CDK1 (0.64) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL129921 0.75 CDK1 (1.00) CDK1ADORA2AADORA1ADORA3YTHDC1
SCHEMBL130527 0.75 CDK1 (0.64) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL28782077 0.74 CDK1 (0.66) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL26221278 0.73 ADORA2A (0.42) CDK1ADORA2AADORA1CCNB1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 — — EP disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 — — US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 — — US disclosed
US-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 — — US disclosed
US-8653077-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-02-18 — — US disclosed
US-8637533-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-28 — — US disclosed
US-8623881-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-07 — — US disclosed
US-8492389-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2013-07-23 — — US disclosed
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-07-05 — — US disclosed
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-05-31 — — US disclosed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 — — US disclosed
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-07-01 — — 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 (5 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 CDK1 199/4885ADORA2A 3432/4885ADORA1 2913/4885
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885ADORA2A 3432/4885ADORA1 2913/4885
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885ADORA2A 3432/4885ADORA1 2913/4885
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 209/4885ADORA2A 3485/4885ADORA1 2944/4885
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885ADORA2A 3432/4885ADORA1 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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