SCHEMBL754120

SCHEMBL754120

CC(C)n1cnc2c(NCc3ccccc3)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 1.00
CCNB1 P14635 9/20 1.00
CCNB2 O95067 8/20 1.00
CCNB3 Q8WWL7 8/20 1.00
CDK2 P24941 4/20 1.00
KDM4E B2RXH2 1/20 0.71
NPC1 O15118 1/20 0.71
MAPT P10636 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
CSNK1D P48730 2/20 0.70
MAPK1 P28482 1/20 0.70
MAPK8 P45983 1/20 0.70
CSNK1A1 P48729 1/20 0.70
CDK7 P50613 1/20 0.70
CCNH P51946 1/20 0.70
MNAT1 P51948 1/20 0.70
CDK5 Q00535 3/20 0.70
RAB9A P51151 1/20 0.67
KMT2A Q03164 1/20 0.67
TMIGD3 P0DMS9 1/20 0.64

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
SCHEMBL30539284 1.00 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL21316709 0.90 CDK1 (0.81) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL7041292 0.85 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL21011261 0.84 CDK1 (0.70) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL22789735 0.83 CDK2 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL4382069 0.82 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL6016512 0.82 CDK1 (0.78) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL3851604 0.81 TDP1 (0.78) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL1400442 0.81 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL20097149 0.80 CCNB2 (1.00) CDK1CCNB1CCNB2CCNB3CDK2

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 26 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-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 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-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
EP-3029041-B1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORP (US) 2020-03-04 EP disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 US disclosed
WO-2019043634-A2 CYCLIC DI-NUCLEOTIDES AS STIMULATOR OF INTERFERON GENES MODULATORS BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2019-03-07 WO disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 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
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO 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-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
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 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 (10 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 199/4885CCNB1 927/4885CCNB2 1339/4885
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 CDK1 231/4885CCNB1 764/4885CCNB2 1132/4885
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885CCNB1 927/4885CCNB2 1339/4885
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885CCNB1 927/4885CCNB2 1339/4885
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885CCNB1 927/4885CCNB2 1339/4885
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CDK1 199/4885CCNB1 927/4885CCNB2 1339/4885
US-20200331957-A1 CYCLIC DI-NUCLEOTIDES AS STIMULATOR OF INTERFERON GENES MODULATORS STING1, IRF3, CGAS CDK1 2787/4885CCNB1 3587/4885CCNB2 3315/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS CDK1 2787/4885CCNB1 3587/4885CCNB2 3315/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CDK1 199/4885CCNB1 927/4885CCNB2 1339/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CDK1 199/4885CCNB1 927/4885CCNB2 1339/4885

“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.