SCHEMBL4470606

SCHEMBL4470606

COc1[c]cc2ccoc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.35
MAOA P21397 4/20 0.35
KDM4E B2RXH2 4/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2A6 P11509 3/20 0.35
CYP2C19 P33261 3/20 0.35
ADORA3 P0DMS8 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A1 P04798 2/20 0.35
ACHE P22303 2/20 0.35
CYP2C9 P11712 2/20 0.35
PDE4A P27815 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2A13 Q16696 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PGR P06401 1/20 0.35
KCNA2 P16389 1/20 0.35

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
SCHEMBL3810173 0.85 DYRK1A (0.36) CYP3A4MAOAKDM4ECYP2D6CYP2A6
SCHEMBL4471575 0.75 CYP2A6 (0.36) CYP3A4MAOAKDM4ECYP2D6CYP2A6
SCHEMBL4475506 0.71 CYP2A6 (0.36) CYP3A4MAOAKDM4ECYP2D6CYP2A6
SCHEMBL2095369 0.71 CYP2A6 (0.36) CYP3A4MAOAKDM4ECYP2D6CYP2A6
SCHEMBL4461777 0.71 CYP2A6 (0.36) CYP3A4MAOAKDM4ECYP2D6CYP2A6
SCHEMBL27968676 0.71 CYP2A6 (0.36) CYP3A4MAOAKDM4ECYP2D6CYP2A6
SCHEMBL315486 0.68 CYP1A2 (0.45) CYP3A4KDM4ECYP2D6CYP2A6CYP2C19
SCHEMBL4580168 0.68 MCL1 (0.55) CYP3A4MAOAKDM4ECYP2D6CYP2A6
SCHEMBL3793638 0.67 KDM4E (0.58) KDM4ECYP2A6HSD17B10CYP1A2MAPK1
SCHEMBL21295854 0.67 DYRK1A (0.51) CYP3A4MAOAKDM4ECYP2D6CYP2A6

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 18 patents. 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
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP 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
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP 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 (4 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 CYP3A4 1868/4885MAOA 1323/4885KDM4E 2790/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CYP3A4 144/4885MAOA 1585/4885KDM4E 1571/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CYP3A4 144/4885MAOA 1585/4885KDM4E 1571/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG CYP3A4 611/4885MAOA 439/4885KDM4E 2317/4885

“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.