SCHEMBL647106

SCHEMBL647106

N#Cc1[c]ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
ALDH1A1 P00352 9/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2A6 P11509 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 5/20 0.36
HPRT1 P00492 1/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALOX15 P16050 2/20 0.33
CYP1A2 P05177 3/20 0.32
HPGD P15428 3/20 0.32

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
SCHEMBL5750988 0.82 CA1 (0.36) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL10476636 0.79 CYP2A6 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5051704 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7408803 0.79 ALDH1A1 (0.39) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL28656149 0.76 CYP1A2 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL16289785 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL21858086 0.75 APP (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL21858026 0.73 CHAT (0.45) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL27536223 0.73 MDM4 (0.43) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL27901223 0.73 CHEK1 (0.33) ALDH1A1CYP2A6KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US claimed
CN-115215763-A Mass spectrum matrix material and preparation method thereof 闽江学院 2022-10-21 CN claimed
CN-108889127-B Nano-scale filter membrane and preparation method and application thereof 安徽诺乐知识产权服务有限公司 2021-08-31 CN claimed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP claimed
CN-113019156-A Composite nanofiltration membrane 安徽原上草节能环保科技有限公司 2021-06-25 CN claimed
CN-113019155-A Composite microfiltration membrane 安徽原上草节能环保科技有限公司 2021-06-25 CN claimed
CN-108905626-B Composite ultrafiltration membrane and preparation method and application thereof 北京亿家清泉环保科技有限公司 2021-06-08 CN claimed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US claimed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN claimed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
CN-102190797-A Quick synthesizing method of triazinyl covalent bond organic framework material with nano pores and application thereof UNIV ANHUI 2011-09-21 CN claimed
CN-101213194-A Indazoles useful in treating cardiovascular diseases WYETH CORP (US) 2008-07-02 CN claimed
EP-1805179-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES Brystol-Myers Squibb Company (US) 2007-07-11 EP claimed
WO-2006135425-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 WO claimed
US-20060069085-A1 Preparation of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 US claimed
EP-4365180-A1 RARE EARTH COMPLEX Tosoh Corporation (JP) 2024-05-08 EP disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1032436-A The method of biological production of amides HIDEAKI YAMADA (JP) 1989-04-19 CN 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 (3 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CA1 4747/4885CA2 3989/4885ALDH1A1 468/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CA1 4747/4885CA2 3989/4885ALDH1A1 468/4885
US-20060069085-A1 Preparation of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones F2, TFPI, TFPI2 CA1 3664/4885CA2 3089/4885ALDH1A1 1834/4885

“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.