SCHEMBL20561997

SCHEMBL20561997

Cc1c(O)c(C#N)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
TSHR P16473 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
TRPM4 Q8TD43 1/20 0.38
SLC22A12 Q96S37 2/20 0.38
NQO2 P16083 1/20 0.37
XDH P47989 1/20 0.37

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
SCHEMBL8524167 0.81 CLK1 (0.46) CLK1DYRK1ANCOA3KDM4EALDH1A1
SCHEMBL9453843 0.80 CLK1 (0.45) CLK1DYRK1ANCOA3KDM4EALDH1A1
SCHEMBL20563958 0.79 CLK1 (0.44) CLK1DYRK1ANCOA3KDM4EALDH1A1
SCHEMBL10338293 0.76 KDM4E (0.59) CLK1DYRK1ANCOA3KDM4EALDH1A1
SCHEMBL28345506 0.76 FASN (0.43) CLK1DYRK1ANCOA3KDM4EALDH1A1
SCHEMBL11619704 0.75 CA1 (0.49) CLK1DYRK1ANCOA3KDM4EALDH1A1
SCHEMBL1699621 0.75 ALDH1A1 (0.57) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL2342270 0.75 TRPM4 (0.56) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL3953630 0.75 LMNA (0.52) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL30071634 0.75 LMNA (0.52) ALDH1A1GAAMEN1MAPTKMT2A

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 6 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
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

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 CLK1 4589/4885DYRK1A 2654/4885NCOA3 242/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CLK1 4589/4885DYRK1A 2654/4885NCOA3 242/4885

“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.