SCHEMBL3810173

SCHEMBL3810173

COc1[c]cc2occc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
CYP2A6 P11509 5/20 0.35
CYP3A4 P08684 4/20 0.35
MAOA P21397 4/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
ADORA3 P0DMS8 3/20 0.35
KDM4E B2RXH2 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
HSD17B10 Q99714 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

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
SCHEMBL4470606 0.85 CYP3A4 (0.35) DYRK1ACYP2A6CYP3A4MAOACYP2D6
SCHEMBL596938 0.75 CYP2A6 (0.37) DYRK1ACYP2A6CYP3A4MAOACYP2D6
SCHEMBL9033747 0.74 MCL1 (0.57) CYP2A6CYP3A4MAOACYP2D6CYP2C19
SCHEMBL16295095 0.72
SCHEMBL20563740 0.69
SCHEMBL4580168 0.68 MCL1 (0.55) CYP2A6CYP3A4MAOACYP2D6CYP2C19
SCHEMBL315486 0.68 CYP1A2 (0.45) CYP2A6CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL826624 0.67 CYP2A6 (0.55) CYP2A6KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL21295871 0.67 DYRK1A (0.56) DYRK1ACYP2A6CYP3A4MAOACYP2D6
SCHEMBL21295864 0.67 PTPN1 (0.40) DYRK1ACYP2A6CYP3A4MAOACYP2D6

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 15 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
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
US-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 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 (2 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 DYRK1A 2654/4885CYP2A6 131/4885CYP3A4 144/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 DYRK1A 2654/4885CYP2A6 131/4885CYP3A4 144/4885

“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.