SCHEMBL21463690

SCHEMBL21463690

Cc1cc(Br)ncc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CASP7 P55210 1/20 0.49
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
EGFR P00533 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 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
SCHEMBL30615325 1.00 MAPT (0.51) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL21464077 0.87 MAPT (0.52) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL30615345 0.87 MAPT (0.52) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL21463999 0.85 ABCG2 (0.49) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL30615538 0.85 ABCG2 (0.49) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL30615363 0.85 MAPT (0.50) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL21463353 0.85 MAPT (0.50) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL6565464 0.80 ALDH1A1 (0.51) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL28489113 0.80 MAPT (0.46) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL21463695 0.77 ALDH1A1 (0.59) MAPTMAPK1TDP1ALDH1A1L3MBTL1

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 MAPT 1623/4885MAPK1 2185/4885TDP1 4367/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH MAPT 1623/4885MAPK1 2185/4885TDP1 4367/4885

“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.