SCHEMBL21463493

SCHEMBL21463493

CNC(=O)c1cc(-n2c(=O)[nH]c3ccccc32)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ AURKA O14965 5/20 0.48
▸ P2RX3 P56373 1/20 0.42

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
SCHEMBL30615554 1.00 LMNA (0.49) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL21463825 0.83 MAPT (0.49) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL30615580 0.83 MAPT (0.49) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL21467299 0.80 MAPT (0.52) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL21463397 0.78 LMNA (0.49) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL30615454 0.78 AURKA (0.50) LMNAKDM4ECYP1A2MAPTAURKA
SCHEMBL21464410 0.78 AURKA (0.50) LMNAKDM4ECYP1A2MAPTAURKA
SCHEMBL21463678 0.77 HSP90AA1 (0.46) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL21463441 0.75 AURKA (0.51) LMNAKDM4ETP53MAPTAURKA
SCHEMBL30615675 0.75 AURKA (0.51) LMNAKDM4ETP53MAPTAURKA

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 LMNA 3635/4885KDM4E 4351/4885NPC1 2391/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH LMNA 3635/4885KDM4E 4351/4885NPC1 2391/4885

“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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