SCHEMBL7976209

SCHEMBL7976209

COc1[c]cc2sccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
CYP2A6 P11509 2/20 0.34
CA2 P00918 6/20 0.33
CA12 O43570 5/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
DYRK1A Q13627 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 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
SCHEMBL3810073 0.85 PDE10A (0.33) PDE10ACYP2A6CA2CA12CTNNB1
SCHEMBL21295963 0.75 CYP2A6 (0.37) CYP2A6CA2CA12CTNNB1WNT3A
SCHEMBL980076 0.71 CYP2A6 (0.37) CYP2A6CTNNB1WNT3ADYRK1A
SCHEMBL315486 0.68 CYP1A2 (0.45) CYP2A6
SCHEMBL3480255 0.68 PDE10A (0.48) PDE10ACYP2A6CTNNB1WNT3AHDAC8
SCHEMBL29703102 0.68 PDE10A (0.48) PDE10ACYP2A6CTNNB1WNT3AHDAC8
SCHEMBL14902880 0.68 CA2 (0.37) PDE10ACYP2A6CA2CA12CTNNB1
SCHEMBL154909 0.67 BACE1 (0.52) CYP2A6CA2CA12DYRK1ASLC6A2
SCHEMBL20563642 0.67 CA12 (0.33) CYP2A6CA2CA12
SCHEMBL21300585 0.67 DYRK1A (0.36) CYP2A6CTNNB1WNT3ADYRK1A

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 13 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-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 PDE10A 1384/4885CYP2A6 131/4885CA2 3989/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 PDE10A 1384/4885CYP2A6 131/4885CA2 3989/4885

“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.