SCHEMBL279883

SCHEMBL279883

CC1Cc2cccnc2N1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
NNMT P40261 2/20 0.44
GSK3B P49841 1/20 0.41
BRD4 O60885 4/20 0.33
CREBBP Q92793 3/20 0.33
IDH1 O75874 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ADRA1A P35348 1/20 0.33
EP300 Q09472 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33

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
SCHEMBL8039039 0.81 GSK3B (0.39) GSK3BIDH1ADRA1A
SCHEMBL12895008 0.81 GSK3B (0.39) TSHRGSK3BIDH1TNKS2ADRA1A
SCHEMBL18068310 0.79 GSK3B (0.37) GSK3BIDH1ADRA1A
SCHEMBL21281641 0.78 GSK3B (0.36) GSK3BIDH1TNKS2
SCHEMBL4183810 0.77 GSK3B (0.34) GSK3BIDH1TNKS2ADRA1A
SCHEMBL28362032 0.77 GSK3B (0.35) GSK3BIDH1TNKS2ADRA1A
SCHEMBL29550020 0.77 GSK3B (0.35) GSK3BIDH1TNKS2ADRA1A
SCHEMBL21281656 0.76 GSK3B (0.36) GSK3BIDH1TNKS2
SCHEMBL20153297 0.76 GSK3B (0.37) GSK3BBRD4CREBBPIDH1ADRA1A
SCHEMBL23583899 0.74 DRD3 (0.38) GSK3BIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818761-B Preparation method of obeticholic acid intermediate 东莞东阳光药物研发有限公司 2022-04-29 CN claimed
CN-110818761-A Preparation method of obeticholic acid intermediate 东莞东阳光药物研发有限公司 2020-02-21 CN claimed
WO-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed
WO-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 WO disclosed
US-11911381-B2 Optically active azabicyclo ring derivative Sumitomo Pharma Co., Ltd. (JP) 2024-02-27 US disclosed
EP-4219479-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND APPLICATION THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-08-02 EP disclosed
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 WO disclosed
US-11369605-B2 Optically active azabicyclo ring derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-28 US disclosed
US-11325921-B2 Optically active crosslinked cyclic secondary amine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-10 US disclosed
CN-110818761-B Preparation method of obeticholic acid intermediate 东莞东阳光药物研发有限公司 2022-04-29 CN disclosed
WO-2022063197-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND APPLICATION THEREOF 上海美悦生物科技发展有限公司 2022-03-31 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed
US-7348333-B2 Cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. (FR) 2008-03-25 US disclosed
US-20080058348-A1 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate PROSKELIA SAS 2008-03-06 US disclosed
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2008-01-24 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
WO-2006004880-A2 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-01-12 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 (8 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-11369605-B2 Optically active azabicyclo ring derivative MLLT3, MEN1, MLLT1 TSHR 3676/4885NNMT 3397/4885GSK3B 4144/4885
US-11911381-B2 Optically active azabicyclo ring derivative MLLT3, MEN1, MLLT1 TSHR 3525/4885NNMT 3485/4885GSK3B 4371/4885
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, ADGRE5, CALCR TSHR 733/4885NNMT 4551/4885GSK3B 3604/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL TSHR 1758/4885NNMT 2977/4885GSK3B 75/4885
US-11325921-B2 Optically active crosslinked cyclic secondary amine derivative MLLT3, MEN1, MLLT1 TSHR 3773/4885NNMT 4045/4885GSK3B 3676/4885
US-20080058348-A1 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate CALCR, PTH1R, CALCRL TSHR 210/4885NNMT 2722/4885GSK3B 2468/4885
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 TSHR 746/4885NNMT 2283/4885GSK3B 2764/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 TSHR 2205/4885NNMT 748/4885GSK3B 1453/4885

“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.