SCHEMBL22729413

SCHEMBL22729413

COc1cccc(C23CN(C(=O)c4cn(C)c5c(C)cn(C)c(=O)c45)CC2C3(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 8/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PDE2A O00408 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CPS1 P31327 1/20 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
SCHEMBL29839289 1.00 GRIN2B (0.35) GRIN2BKDM4EALOX15MAPK1PDE2A
SCHEMBL22729433 0.93 ALDH1A1 (0.38) GRIN2BKDM4EALOX15MAPK1OPRD1
SCHEMBL29839308 0.93 ALDH1A1 (0.38) GRIN2BKDM4EALOX15MAPK1OPRD1
SCHEMBL22729455 0.90 ALDH1A1 (0.33) KDM4EALOX15MAPK1OPRD1ALDH1A1
SCHEMBL29839378 0.90 ALDH1A1 (0.33) KDM4EALOX15MAPK1OPRD1ALDH1A1
SCHEMBL22729851 0.90 KDM4E (0.39) KDM4EALOX15MAPK1PDE2AALDH1A1
SCHEMBL22729837 0.89 MGLL (0.38) KDM4EALOX15MAPK1ALDH1A1TP53
SCHEMBL22755348 0.88 CNR1 (0.34) GRIN2BKDM4EPDE2AALDH1A1SLC6A4
SCHEMBL22729672 0.85 MGLL (0.32) KDM4EALOX15MAPK1ALDH1A1
SCHEMBL22729791 0.84 GRIN2B (0.39) GRIN2BKDM4EALOX15MAPK1USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP 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 (1 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC GRIN2B 1405/4885KDM4E 1315/4885ALOX15 555/4885

“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