SCHEMBL457370

SCHEMBL457370

C#Cc1[c]cc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PYCR1 P32322 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
NQO2 P16083 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
SCHEMBL645519 0.78 CA1 (0.38) CA1CA2CYP1A2CYP2A6NQO2
SCHEMBL21858052 0.74 APP (0.46) CA1CA2CYP1A2
SCHEMBL21858030 0.71 ASIC3 (0.40) CYP1A1CYP1B1CA1CA2CYP1A2
SCHEMBL5748090 0.71 CA1 (0.36) CA1CA2CYP2A6
SCHEMBL5055090 0.71 ALDH1A1 (0.34)
SCHEMBL5051711 0.71 ALDH1A1 (0.34)
SCHEMBL6163163 0.69 CYP2A6 (0.37) CA1CA2CYP1A2CYP2A6NQO2
SCHEMBL21858023 0.69 CHAT (0.43) CYP1A1CYP1B1CA1CA2CYP1A2
SCHEMBL21121993 0.66 CA1 (0.41) CYP1A1CYP1B1CA1CA2CYP1A2
SCHEMBL31638375 0.66 CA1 (0.41) CYP1A1CYP1B1CA1CA2CYP1A2

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 28 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
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-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
CN-104105694-A Amide compound and use thereof for pest control SUMITOMO CHEMICAL CO 2014-10-15 CN disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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 (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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CYP1A1 174/4885CYP1B1 105/4885PYCR1 812/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CYP1A1 174/4885CYP1B1 105/4885PYCR1 812/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP1A1 152/4885CYP1B1 68/4885PYCR1 350/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP1A1 152/4885CYP1B1 68/4885PYCR1 350/4885

“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.