SCHEMBL4382069

SCHEMBL4382069

Cn1cnc2c(NCc3ccccc3)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 1.00
TMIGD3 P0DMS9 4/20 0.72
ADORA2A P29274 4/20 0.72
ADORA1 P30542 4/20 0.72
CCNB2 O95067 2/20 0.70
CCNB1 P14635 2/20 0.70
CDK2 P24941 2/20 0.70
CCNB3 Q8WWL7 2/20 0.70
RAB9A P51151 3/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 2/20 0.63
HPGD P15428 1/20 0.63
KDM4E B2RXH2 1/20 0.59
CCNE2 O96020 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
GAA P10253 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL22349408 0.85 CDK1 (0.74) CDK1TMIGD3ADORA2AADORA1CCNB2
Purine SCHEMBL8018839 0.84 CDK1 (0.71) CDK1TMIGD3ADORA2AADORA1CCNB2
SCHEMBL29501881 0.84 CDK1 (0.73) CDK1ADORA2AADORA1
SCHEMBL22349409 0.84 CDK1 (0.73) CDK1ADORA2AADORA1
Purine SCHEMBL8018841 0.84 CDK1 (0.70) CDK1TMIGD3ADORA2AADORA1CCNB2
SCHEMBL20782357 0.83 CDK1 (0.71) CDK1TMIGD3ADORA2AADORA1CCNB2
SCHEMBL22571186 0.83 TMIGD3 (0.81) CDK1TMIGD3ADORA2AADORA1CCNB2
SCHEMBL754120 0.82 CDK1 (1.00) CDK1TMIGD3ADORA2AADORA1CCNB2
SCHEMBL22571150 0.82 CDK1 (0.70) CDK1TMIGD3ADORA2AADORA1CCNB2
SCHEMBL30539284 0.82 CDK1 (1.00) CDK1TMIGD3ADORA2AADORA1CCNB2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 US disclosed
US-11384105-B2 Processes for preparing oligomers SAREPTA THERAPEUTICS, INC. (US) 2022-07-12 US disclosed
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 US disclosed
US-20210198296-A1 PROCESSES FOR PREPARING OLIGOMERS SAREPTA THERAPEUTICS, INC. (US) 2021-07-01 US disclosed
WO-2020216327-A1 DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2020-10-29 WO disclosed
US-20200331957-A1 CYCLIC DI-NUCLEOTIDES AS STIMULATOR OF INTERFERON GENES MODULATORS AJ SCIENCES (YIXING) CO., LTD (CN) 2020-10-22 US disclosed
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2020-06-30 US disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 US disclosed
US-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 US disclosed
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 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-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS CORNELL UNIVERSITY (US) 2012-05-03 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
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 US disclosed
WO-2000033657-A1 METHOD TO IDENTIFY REGULATORS OF CDK ACTIVITY CROPDESIGN N.V. (BE) 2000-06-15 WO 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 (13 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-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885TMIGD3 1146/4885ADORA2A 3432/4885
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 CDK1 231/4885TMIGD3 2432/4885ADORA2A 309/4885
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885TMIGD3 1146/4885ADORA2A 3432/4885
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885TMIGD3 1146/4885ADORA2A 3432/4885
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885TMIGD3 1146/4885ADORA2A 3432/4885
US-20210198296-A1 PROCESSES FOR PREPARING OLIGOMERS PCBP1, RNGTT, PHAX CDK1 2511/4885TMIGD3 4175/4885ADORA2A 4556/4885
US-20200331957-A1 CYCLIC DI-NUCLEOTIDES AS STIMULATOR OF INTERFERON GENES MODULATORS STING1, IRF3, CGAS CDK1 2787/4885TMIGD3 3937/4885ADORA2A 216/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS CDK1 2787/4885TMIGD3 3937/4885ADORA2A 216/4885
US-10519160-B2 Imaging agents for neural flux SLC18A2, SLC18A3, PMP22 CDK1 2522/4885TMIGD3 3542/4885ADORA2A 753/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CDK1 199/4885TMIGD3 1146/4885ADORA2A 3432/4885
US-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS SLC2A2, SLC29A2, DERA CDK1 2348/4885TMIGD3 4881/4885ADORA2A 73/4885
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CDK1 199/4885TMIGD3 1146/4885ADORA2A 3432/4885
US-11384105-B2 Processes for preparing oligomers NOP2, RNGTT, PCBP1 CDK1 3026/4885TMIGD3 3884/4885ADORA2A 4483/4885

“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.