SCHEMBL20563336

SCHEMBL20563336

Cc1[c]c(C#N)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CYP1A2 P05177 5/20 0.38
▸ CYP2A6 P11509 4/20 0.38
▸ CLK1 P49759 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ TSHR P16473 2/20 0.32

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
SCHEMBL20562879 0.81 CA1 (0.40) CA1CA2CYP2A6CLK1DYRK1A
SCHEMBL2172611 0.74 CYP2A6 (0.45) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL4071436 0.71 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL27921773 0.70 CA1 (0.40) CA1CA2CYP1A2CYP2A6CLK1
SCHEMBL7874413 0.68 ALDH1A1 (0.36) CYP2A6ALDH1A1TSHR
SCHEMBL20564340 0.68 ALDH1A1 (0.41) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL6413453 0.67 CYP1A2 (0.37) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL2885158 0.66 CYP1A2 (0.45) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL20564112 0.66 CYP1A2 (0.37) CYP1A2CYP2A6ALDH1A1HSD17B10KDM4E
SCHEMBL12316907 0.65 CYP2A6 (0.55) CA1CA2CYP1A2CYP2A6CLK1

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 12 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

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 CA1 4747/4885CA2 3989/4885CYP1A2 124/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CA1 4747/4885CA2 3989/4885CYP1A2 124/4885

“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.

Send feedback