SCHEMBL21464054

SCHEMBL21464054

COc1ccc(-n2c(=O)[nH]c3ncccc32)cc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 11/20 0.48
▸ PDE4B Q07343 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ MAP3K11 Q16584 2/20 0.45
▸ GRIN1 Q05586 3/20 0.44
▸ GRIN2B Q13224 3/20 0.44
▸ DAO P14920 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA1 P30542 1/20 0.41

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
SCHEMBL30615537 1.00 PRKCQ (0.48) PRKCQPDE4BPDE4DPRKCAMAP3K11
SCHEMBL30615338 0.91 PRKCQ (0.48) PRKCQPDE4BPRKCAMAP3K11GRIN1
SCHEMBL30615464 0.81 PDE4B (0.48) PDE4BPDE4DMAP3K11DAOALDH1A1
SCHEMBL30615344 0.79 TNKS (0.44) PDE4BPDE4DMAP3K11GRIN1GRIN2B
SCHEMBL21463944 0.79 TNKS (0.44) PDE4BPDE4DMAP3K11GRIN1GRIN2B
SCHEMBL16657399 0.79 TNKS (0.44) PRKCQPRKCAMAP3K11GRIN1GRIN2B
SCHEMBL30615429 0.79 TNKS (0.44) PRKCQPRKCAMAP3K11GRIN1GRIN2B
SCHEMBL30615357 0.77 PRKCQ (0.51) PRKCQPDE4BPDE4DPRKCAGRIN1
SCHEMBL16348540 0.77 DAO (0.53) PRKCQPRKCAGRIN1GRIN2BDAO
SCHEMBL30615535 0.76 PRKCQ (0.44) PRKCQPRKCAGRIN1GRIN2BDAO

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 PRKCQ 1344/4885PDE4B 793/4885PDE4D 1521/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH PRKCQ 1344/4885PDE4B 793/4885PDE4D 1521/4885

“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