SCHEMBL21463496

SCHEMBL21463496

N#Cc1ccncc1-n1c(=O)[nH]c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.45
▸ CDK5R1 Q15078 3/20 0.45
▸ HSP90AA1 P07900 5/20 0.45
▸ AURKA O14965 4/20 0.44
▸ DAO P14920 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40

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
SCHEMBL3788615 0.80 AURKA (0.51) CDK5CDK5R1HSP90AA1AURKADAO
SCHEMBL30615475 0.77 HSP90AA1 (0.56) CDK5CDK5R1HSP90AA1AURKADAO
SCHEMBL21463352 0.77 AURKA (0.51) CDK5CDK5R1HSP90AA1AURKADAO
SCHEMBL30615512 0.76 HSP90AA1 (0.48) CDK5CDK5R1HSP90AA1AURKADAO
SCHEMBL30615353 0.75 CDK5 (0.49) CDK5CDK5R1HSP90AA1AURKADAO
SCHEMBL30615337 0.75 GABRP (0.49) CDK5CDK5R1HSP90AA1AURKADAO
SCHEMBL1238432 0.75 AURKA (0.50) CDK5CDK5R1HSP90AA1AURKADAO
SCHEMBL30257855 0.75 AURKA (0.50) CDK5CDK5R1HSP90AA1AURKADAO
SCHEMBL5447991 0.74 HSP90AA1 (0.66) HSP90AA1AURKADAODYRK1ACLK2
SCHEMBL23119573 0.74 CDK5 (0.59) CDK5CDK5R1HSP90AA1AURKADAO

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 CDK5 256/4885CDK5R1 92/4885HSP90AA1 1723/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH CDK5 256/4885CDK5R1 92/4885HSP90AA1 1723/4885

“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.

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