SCHEMBL20564282

SCHEMBL20564282

Fc1cc2ncccc2c(F)c1CCNc1cc(-c2ccc3cnccc3c2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 13/20 0.41
CYP1A2 P05177 12/20 0.41
CYP3A4 P08684 12/20 0.41
HSD17B10 Q99714 9/20 0.41
CYP2D6 P10635 8/20 0.41
CYP2C19 P33261 8/20 0.41
ALDH1A1 P00352 8/20 0.41
ALOX15 P16050 6/20 0.41
USP2 O75604 3/20 0.41
ROCK2 O75116 3/20 0.38
PIM1 P11309 3/20 0.38
CDK2 P24941 3/20 0.38
GSK3B P49841 3/20 0.38
MAP4K4 O95819 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
CDC7 O00311 2/20 0.38
PRKACA P17612 2/20 0.38
HIPK2 Q9H2X6 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
MAPK1 P28482 3/20 0.36

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
SCHEMBL23242354 0.88 NPC1 (0.39) CLK4CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL20563833 0.84 ABL1 (0.42) CLK4CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL30627665 0.77 SYK (0.46) CLK4CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL23242275 0.77 SYK (0.46) CLK4CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL20564277 0.77 MET (0.36) CLK4ROCK2PIM1CDK2GSK3B
SCHEMBL20563054 0.76 FAAH (0.44) CLK4CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL23242340 0.76 FAAH (0.40) CLK4CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL23607406 0.75 FAAH (0.44) CLK4CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL23242423 0.74 CLK4 (0.37) CLK4CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL30627651 0.74 CLK4 (0.37) CLK4CYP1A2CYP3A4HSD17B10CYP2D6

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 CLK4 4265/4885CYP1A2 124/4885CYP3A4 144/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CLK4 4265/4885CYP1A2 124/4885CYP3A4 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.