SCHEMBL21463676

SCHEMBL21463676

COC(=O)c1cccc(Cn2c(=O)n(C(=O)OC(C)(C)C)c3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F10 P00742 2/20 0.45
MAPK10 P53779 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ABHD6 Q9BV23 1/20 0.43
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
MAPK8 P45983 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL30615662 1.00 MEN1 (0.55) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL28492451 0.88 MEN1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL30345048 0.84 MEN1 (0.58) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL23997322 0.84 MEN1 (0.58) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL30336859 0.84 MEN1 (0.58) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL30336802 0.84 MEN1 (0.58) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL25282013 0.84 MEN1 (0.58) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL21463865 0.79 MEN1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL23997395 0.78 MEN1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL30336707 0.78 MEN1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
EP-3774739-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RaQualia Pharma Inc. (JP) 2021-02-17 EP disclosed
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN disclosed
WO-2019198692-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2019-10-17 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-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH MEN1 2330/4885KMT2A 4119/4885L3MBTL1 4361/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH MEN1 2330/4885KMT2A 4119/4885L3MBTL1 4361/4885

“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.