SCHEMBL20564259

SCHEMBL20564259

O=C(O)NCCc1ccc2scnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD11B1 P28845 1/20 0.41
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HKDC1 Q2TB90 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 3/20 0.37
LMNA P02545 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
SCHEMBL20563305 0.89 NPC1 (0.51) KDM4ENPC1RAB9AL3MBTL1TDP1
SCHEMBL30627653 0.81 CA2 (0.43) KDM4EL3MBTL1TDP1NAMPTMTNR1A
SCHEMBL8980215 0.81 P4HTM (0.47) KEAP1HSD11B1FFAR1KDM4ENPC1
SCHEMBL9326866 0.77 KDM4E (0.52) KEAP1NFE2L2HSD11B1FFAR1KDM4E
SCHEMBL27174608 0.77 ALDH1A1 (0.42) KEAP1NFE2L2HSD11B1FFAR1KDM4E
SCHEMBL6761642 0.75 ALDH1A1 (0.50) FFAR1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL20563595 0.74 CYP2A6 (0.50) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15286656 0.74 NPC1 (0.54) FFAR1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL6647512 0.73 ALDH1A1 (0.42) HSD11B1FFAR1KDM4ENPC1RAB9A
SCHEMBL27278065 0.73 ALDH1A1 (0.42) KEAP1NFE2L2HSD11B1FFAR1KDM4E

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 KEAP1 2271/4885NFE2L2 357/4885HSD11B1 1400/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 KEAP1 2271/4885NFE2L2 357/4885HSD11B1 1400/4885

“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.