SCHEMBL21467291

SCHEMBL21467291

CNc1ncc(-n2c(=O)[nH]c3ccccc32)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.46
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ AURKA O14965 5/20 0.41
▸ GABRP O00591 3/20 0.40
▸ GABRD O14764 3/20 0.40
▸ GABRA1 P14867 3/20 0.40
▸ GABRB1 P18505 3/20 0.40
▸ GABRG2 P18507 3/20 0.40
▸ GABRB3 P28472 3/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA3 P34903 3/20 0.40
▸ GABRA2 P47869 3/20 0.40
▸ GABRB2 P47870 3/20 0.40
▸ GABRA4 P48169 3/20 0.40
▸ GABRE P78334 3/20 0.40
▸ GABRA6 Q16445 3/20 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
SCHEMBL21464153 0.86 AURKA (0.46) HSP90AA1LMNAMEN1KMT2AL3MBTL1
SCHEMBL21463678 0.81 HSP90AA1 (0.46) HSP90AA1TP53LMNAMEN1KMT2A
SCHEMBL28493767 0.79 ADORA3 (0.46) HSP90AA1TP53LMNAMEN1KMT2A
SCHEMBL30615368 0.78 AURKA (0.49) HSP90AA1LMNAMEN1KMT2AL3MBTL1
SCHEMBL21464277 0.78 AURKA (0.49) HSP90AA1LMNAMEN1KMT2AL3MBTL1
SCHEMBL23926997 0.75 LMNA (0.48) HSP90AA1TP53LMNAMEN1KMT2A
SCHEMBL5956462 0.74 AURKA (0.51) HSP90AA1LMNAMEN1KMT2AL3MBTL1
SCHEMBL21463825 0.73 MAPT (0.49) HSP90AA1TP53LMNAAURKAKDM4E
SCHEMBL30615580 0.73 MAPT (0.49) HSP90AA1TP53LMNAAURKAKDM4E
SCHEMBL30615630 0.73 AURKA (0.56) HSP90AA1AURKAGABRPGABRDGABRA1

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 HSP90AA1 1723/4885TP53 4570/4885LMNA 3635/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH HSP90AA1 1723/4885TP53 4570/4885LMNA 3635/4885

“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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