SCHEMBL21463674

SCHEMBL21463674

Nc1cccc(-c2cccnc2C(F)(F)F)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
TLR7 Q9NYK1 1/20 0.35
DHODH Q02127 1/20 0.35
PDK2 Q15119 3/20 0.35
ALOX5AP P20292 1/20 0.35
MAP4K4 O95819 1/20 0.34
BACE1 P56817 1/20 0.34
PTPN11 Q06124 3/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL30615592 1.00 HTT (0.39) HTTHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL28513854 0.81 PDE10A (0.41) HTTHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL1025834 0.79 HTT (0.46) HTTHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL7085761 0.77 MAP4K4 (0.39) HTTHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL3289013 0.74 MEN1 (0.47) HTTMEN1MAPTKMT2ALMNA
SCHEMBL23797910 0.73 DHODH (0.40) HTTHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL28486764 0.73 MKNK1 (0.44) HTTL3MBTL1MEN1MAPTKMT2A
SCHEMBL560128 0.72 ALDH1A1 (0.56) HSD17B10L3MBTL1MEN1MAPTKMT2A
SCHEMBL29191172 0.71 DHODH (0.39) HTTHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL157196 0.71 HTT (0.50) HTTHSD17B10L3MBTL1KDM4EMEN1

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 6 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
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 HTT 1142/4885HSD17B10 1479/4885L3MBTL1 4361/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH HTT 1142/4885HSD17B10 1479/4885L3MBTL1 4361/4885

“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.