SCHEMBL21463513

SCHEMBL21463513

COC(=O)c1c2ccccc2nn1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.42
PTGER4 P35408 8/20 0.40
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL21463921 0.88 PTGER4 (0.43) MPOPTGER4MEN1KMT2AHPGD
SCHEMBL31725405 0.84 L3MBTL1 (0.39) PTGER4ALDH1A1ATMSMN1; SMN2
SCHEMBL28496764 0.80 MPO (0.45) MPOPTGER4MAPK1MEN1KMT2A
SCHEMBL31725362 0.79 PRMT5 (0.38)
SCHEMBL29092663 0.77 BRD4 (0.47) MPOPTGER4MEN1KMT2AATM
SCHEMBL15176428 0.77 PTGER4 (0.46) PTGER4ALDH1A1CYP2D6
SCHEMBL15880333 0.77 ROCK1 (0.48) MPOPTGER4MAPK1ALDH1A1HPGD
SCHEMBL2552113 0.76 BCHE (0.47) MEN1KMT2AGAA
SCHEMBL26690126 0.76 LMNA (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL21467286 0.75 PTGER4 (0.44) MPOPTGER4

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-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US 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
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 MPO 2500/4885PTGER4 1875/4885MAPK1 2185/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH MPO 2500/4885PTGER4 1875/4885MAPK1 2185/4885

“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.