SCHEMBL10137844

SCHEMBL10137844

CC(C)n1cc(F)c(N)nc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
ALB P02768 1/20 0.36
DCK P27707 8/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ADORA2B P29275 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
EP300 Q09472 1/20 0.31
ATR Q13535 1/20 0.30
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL15468852 0.79 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL12206794 0.79 ADORA2A (0.36) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL12894752 0.78 EP300 (0.33) ALBDCKEP300
SCHEMBL24538994 0.78 TET2 (0.40) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL21418602 0.78 CDK1 (0.34) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL10137834 0.78 CDK1 (0.34) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL18287861 0.78 CDK1 (0.34) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL22327308 0.76 CDK1 (0.33) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL12894749 0.76 ALB (0.36) ALBDCKEP300
SCHEMBL22815034 0.75 CDK1 (0.33) ADORA2AADORA1CDK1CCNB1CCNE1

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 21 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-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
EP-3746452-B1 STEREOSELECTIVE SYNTHESIS AND PROCESS FOR THE MANUFACTURING OF 2'-DEOXYNUCLEOSIDES US HEALTH (US) 2023-09-13 EP disclosed
WO-2022127914-A1 NUCLEOSIDE-THIODIPHOSPHATE-HEPTOSE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH ALPK1 ACTIVITY PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2022-06-23 WO disclosed
US-20210338696-A1 Lipid Disulfide Prodrugs and Uses Related Thereto UNIV EMORY (US) 2021-11-04 US disclosed
US-20210246153-A1 Nucleotide Analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-08-12 US disclosed
US-10688112-B2 Lipid disulfide prodrugs and uses related thereto EMORY UNIVERSITY (US) 2020-06-23 US disclosed
US-20190290670-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS IDENIX PHARMACEUTICALS LLC (US) 2019-09-26 US disclosed
WO-2019152459-A1 STEREOSELECTIVE SYNTHESIS AND PROCESS FOR THE MANUFACTURING OF 2'-DEOXYNUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-08 WO disclosed
US-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-06-02 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-9085599-B2 2′allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-07-21 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-8575119-B2 2′-chloroacetylenyl substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20130078217-A1 2'-CHLOROACETYLENYL SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2013-03-28 US disclosed
US-20120237480-A1 2'ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-09-20 US disclosed
US-20120237480-A1 2'ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-09-20 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

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-20210338696-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, GSTO1 ADORA2A 822/4885ADORA1 1003/4885ALB 3271/4885
US-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 ADORA2A 3655/4885ADORA1 1163/4885ALB 4486/4885
US-20120237480-A1 2'ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES NME2, HAVCR2, ENTPD5 ADORA2A 10/4885ADORA1 42/4885ALB 3175/4885
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses RNGTT, TYMP, SLC29A1 ADORA2A 255/4885ADORA1 129/4885ALB 3889/4885
US-20190290670-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS HAVCR2, HCCS, PYGL ADORA2A 464/4885ADORA1 921/4885ALB 216/4885
US-20240016820-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, SGMS2 ADORA2A 875/4885ADORA1 1043/4885ALB 3591/4885
US-20140066395-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP ADORA2A 84/4885ADORA1 206/4885ALB 1912/4885
US-10688112-B2 Lipid disulfide prodrugs and uses related thereto SMPD1, SGMS1, GSTO1 ADORA2A 822/4885ADORA1 1003/4885ALB 3271/4885
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP ADORA2A 84/4885ADORA1 206/4885ALB 1912/4885
US-11801255-B2 Lipid disulfide prodrugs and uses related thereto SMPD1, SGMS1, GSTO1 ADORA2A 822/4885ADORA1 1003/4885ALB 3271/4885
US-20130078217-A1 2'-CHLOROACETYLENYL SUBSTITUTED NUCLEOSIDE DERIVATIVES DUT, HAVCR2, HCCS ADORA2A 180/4885ADORA1 272/4885ALB 1917/4885
US-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS DDT, DPYD, DNPEP ADORA2A 2696/4885ADORA1 3574/4885ALB 3460/4885
US-20210246153-A1 Nucleotide Analogs NUDT1, DUT, DPYD ADORA2A 408/4885ADORA1 478/4885ALB 4841/4885

“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.