SCHEMBL21463922

SCHEMBL21463922

O=c1[nH]c2ccccc2n1-c1ccc(N2CCOCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ TNKS O95271 1/20 0.48
▸ HSP90AA1 P07900 2/20 0.46
▸ HSP90AB1 P08238 2/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRL1 P41146 1/20 0.45
▸ ATR Q13535 1/20 0.43
▸ CHRM2 P08172 1/20 0.43

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
SCHEMBL30615497 1.00 ALDH1A1 (0.54) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL28495324 0.86 TNKS (0.48) ALDH1A1TNKSHSP90AA1HSP90AB1OPRM1
SCHEMBL30615558 0.81 HTR7 (0.47) GAATNKSOPRM1OPRL1CHRM1
SCHEMBL21464150 0.81 HTR7 (0.47) GAATNKSOPRM1OPRL1CHRM1
SCHEMBL28492211 0.81 TNKS (0.48) MAPTKDM4ELMNATNKSHSP90AA1
SCHEMBL28488276 0.81 TNKS (0.48) MAPTKDM4ELMNATNKSHSP90AA1
SCHEMBL21464106 0.80 TNKS (0.45) MAPTTNKSCHRM2CHRM4CHRM1
SCHEMBL21464096 0.80 TNKS (0.45) MAPTTNKSCHRM2CHRM4CHRM1
SCHEMBL21464095 0.80 TNKS (0.45) MAPTTNKSCHRM2CHRM4CHRM1
SCHEMBL30615602 0.80 TNKS (0.45) MAPTTNKSCHRM2CHRM4CHRM1

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 ALDH1A1 4726/4885HPGD 943/4885MAPT 1623/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH ALDH1A1 4726/4885HPGD 943/4885MAPT 1623/4885

“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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