SCHEMBL21463487

SCHEMBL21463487

CC(C)Nc1ccc(-n2c(=O)[nH]c3ccccc32)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.45
▸ TNKS O95271 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ P2RX3 P56373 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ GABRP O00591 3/20 0.39
▸ GABRD O14764 3/20 0.39
▸ GABRA1 P14867 3/20 0.39
▸ GABRB1 P18505 3/20 0.39
▸ GABRG2 P18507 3/20 0.39
▸ GABRB3 P28472 3/20 0.39
▸ GABRA5 P31644 3/20 0.39
▸ GABRA3 P34903 3/20 0.39
▸ GABRA2 P47869 3/20 0.39
▸ GABRB2 P47870 3/20 0.39
▸ GABRA4 P48169 3/20 0.39
▸ GABRE P78334 3/20 0.39
▸ GABRA6 Q16445 3/20 0.39

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
SCHEMBL30615536 1.00 AURKA (0.45) AURKATNKSPOLBLMNAMAPT
SCHEMBL30615368 0.87 AURKA (0.49) AURKATNKSPOLBLMNAMAPT
SCHEMBL21464277 0.87 AURKA (0.49) AURKATNKSPOLBLMNAMAPT
SCHEMBL29092666 0.85 AURKA (0.43) AURKATNKSPOLBLMNAMAPT
SCHEMBL30615623 0.80 AURKA (0.45) AURKATNKSPOLBLMNAMAPT
SCHEMBL21464401 0.80 AURKA (0.45) AURKATNKSPOLBLMNAMAPT
SCHEMBL21463566 0.79 AURKA (0.44) AURKATNKSLMNAMAPTGABRP
SCHEMBL30615531 0.79 AURKA (0.44) AURKATNKSLMNAMAPTGABRP
SCHEMBL21464133 0.79 AURKA (0.49) AURKATNKSPOLBLMNAMAPT
SCHEMBL30615658 0.79 AURKA (0.49) AURKATNKSPOLBLMNAMAPT

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 AURKA 4740/4885TNKS 4519/4885POLB 3289/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH AURKA 4740/4885TNKS 4519/4885POLB 3289/4885

“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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