SCHEMBL10137840

SCHEMBL10137840

CC(C)n1cnc2c(NC3CC3)nc(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.60
CDK9 P50750 2/20 0.60
CCNE1 P24864 11/20 0.58
CDK1 P06493 6/20 0.58
CCNB1 P14635 3/20 0.58
CCNA2 P20248 9/20 0.56
CCNA1 P78396 9/20 0.56
PRKACA P17612 1/20 0.56
PRKACG P22612 1/20 0.56
PRKACB P22694 1/20 0.56
MAPK3 P27361 1/20 0.56
MAPK1 P28482 1/20 0.56
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
FLT3 P36888 1/20 0.52
NR1I2 O75469 1/20 0.51
ALB P02768 1/20 0.51
PDE4D Q08499 1/20 0.51
CCNE2 O96020 8/20 0.48

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
SCHEMBL13057359 0.95 CDK2 (0.61) CDK2CDK9CCNE1CDK1CCNB1
SCHEMBL31058754 0.90 CDK2 (0.55) CDK2CDK9CCNE1CDK1CCNB1
SCHEMBL26772811 0.85 CDK2 (0.61) CDK2CDK9CCNE1CDK1CCNB1
SCHEMBL3306974 0.84 CDK2 (0.60) CDK2CDK9CCNE1CDK1CCNB1
SCHEMBL13057362 0.84 CDK2 (0.60) CDK2CDK9CCNE1CDK1CCNB1
SCHEMBL10169348 0.82 ADORA1 (0.56) CDK2CCNE1CDK1CCNB1NR1I2
SCHEMBL13057363 0.82 CDK2 (0.57) CDK2CDK9CCNE1CDK1CCNB1
SCHEMBL24707517 0.81 CDK2 (0.67) CDK2CCNE1CDK1CCNB1CCNA2
SCHEMBL10082133 0.81 NR1I2 (0.52) CDK2CDK9CCNE1CDK1CCNB1
SCHEMBL3130740 0.81 CDK2 (0.56) CDK2CDK9CCNE1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016820-A1 Lipid Disulfide Prodrugs and Uses Related Thereto UNIV EMORY (US) 2024-01-18 US disclosed
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
US-11801255-B2 Lipid disulfide prodrugs and uses related thereto EMORY UNIVERSITY (US) 2023-10-31 US disclosed
US-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 US disclosed
US-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto UNIV EMORY (US) 2022-09-22 US disclosed
US-20210338696-A1 Lipid Disulfide Prodrugs and Uses Related Thereto UNIV EMORY (US) 2021-11-04 US disclosed
EP-3865136-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR CORONA VIRUS TREATMENT ATEA Pharmaceuticals, Inc. (US) 2021-08-18 EP disclosed
US-11090316-B2 Lipid disulfide prodrugs and uses related thereto EMORY UNIVERSITY (US) 2021-08-17 US disclosed
US-20190015432-A1 Lipid Disulfide Prodrugs and Uses Related Thereto EMORY UNIVERSITY 2019-01-17 US disclosed
US-9173893-B2 Purine nucleoside monophosphate prodrugs for treatment of cancer and viral infections COCRYSTAL PHARMA, INC. (US) 2015-11-03 US disclosed
US-20140066395-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-03-06 US disclosed
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2012-02-16 US disclosed
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2012-02-16 US disclosed
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses AUSPEX PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-7842672-B2 Phosphonate inhibitors of HCV GILEAD SCIENCES, INC. (US) 2010-11-30 US disclosed
US-7842672-B2 Phosphonate inhibitors of HCV GILEAD SCIENCES, INC. (US) 2010-11-30 US disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 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 (14 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-20210338696-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, GSTO1 CDK2 2495/4885CDK9 3256/4885CCNE1 2032/4885
US-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 CDK2 1244/4885CDK9 194/4885CCNE1 2247/4885
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 CDK2 1244/4885CDK9 194/4885CCNE1 2247/4885
US-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto PNPO, GSTO1, CYP2C18 CDK2 1377/4885CDK9 1182/4885CCNE1 958/4885
US-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E CDK2 235/4885CDK9 223/4885CCNE1 891/4885
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses RNGTT, TYMP, SLC29A1 CDK2 2350/4885CDK9 1781/4885CCNE1 829/4885
US-20240016820-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, SGMS2 CDK2 2563/4885CDK9 3309/4885CCNE1 2113/4885
US-20140066395-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP CDK2 831/4885CDK9 782/4885CCNE1 2564/4885
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP CDK2 831/4885CDK9 782/4885CCNE1 2564/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP CDK2 595/4885CDK9 829/4885CCNE1 3249/4885
US-11738038-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP CDK2 595/4885CDK9 829/4885CCNE1 3249/4885
US-11801255-B2 Lipid disulfide prodrugs and uses related thereto SMPD1, SGMS1, GSTO1 CDK2 2495/4885CDK9 3256/4885CCNE1 2032/4885
US-11090316-B2 Lipid disulfide prodrugs and uses related thereto SMPD1, SGMS1, SGMS2 CDK2 2563/4885CDK9 3309/4885CCNE1 2113/4885
US-20190015432-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, GSTO1 CDK2 2495/4885CDK9 3256/4885CCNE1 2032/4885

“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.