SCHEMBL20563294

SCHEMBL20563294

O=C(O)c1cc2cc(Br)cc(F)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.44
BCL2L1 Q07817 1/20 0.40
PTPN2 P17706 2/20 0.39
DAO P14920 6/20 0.36
CHRNA7 P36544 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL20563670 0.84 PTPN2 (0.43) PTPN2CHRNA7HDAC3HDAC4HDAC1
SCHEMBL2898184 0.84 GPR35 (0.48) GPR35BCL2L1PTPN2DAOCHRNA7
SCHEMBL20563752 0.80 HDAC3 (0.47) GPR35BCL2L1PTPN2DAOHDAC3
SCHEMBL20562844 0.79 DAO (0.47) GPR35BCL2L1PTPN2DAOHDAC3
SCHEMBL17844690 0.79 DAO (0.47) GPR35BCL2L1PTPN2DAOHDAC3
SCHEMBL31550325 0.77 GPR35 (0.46) GPR35BCL2L1PTPN2DAOCHRNA7
SCHEMBL31550208 0.76 SLC22A12 (0.44) GPR35BCL2L1PTPN2DAOALDH1A1
SCHEMBL30640485 0.75 HDAC3 (0.44) GPR35BCL2L1PTPN2DAOCHRNA7
SCHEMBL26621964 0.75 HDAC3 (0.44) GPR35BCL2L1PTPN2DAOCHRNA7
SCHEMBL2889881 0.74 BCL2L1 (0.53) GPR35BCL2L1DAOCHRNA7HDAC3

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 5 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 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
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 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 (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 GPR35 126/4885BCL2L1 3306/4885PTPN2 2853/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 GPR35 126/4885BCL2L1 3306/4885PTPN2 2853/4885

“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.