SCHEMBL25822604

SCHEMBL25822604

O=C(Cc1ccc2ncc(Br)cc2c1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
HDAC3 O15379 2/20 0.40
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
GAA P10253 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTNNB1 P35222 4/20 0.38
WNT3A P56704 4/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
TLR7 Q9NYK1 2/20 0.37

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
SCHEMBL26003352 0.83 KDM4E (0.42) HDAC3NPC1KMT2AL3MBTL1RIOK2
SCHEMBL23389840 0.83 NPC1 (0.40) HDAC3NPC1RIOK2LMNARAB9A
SCHEMBL29796631 0.83 NPC1 (0.40) HDAC3NPC1RIOK2LMNARAB9A
SCHEMBL5231962 0.83 HDAC3 (0.56) HDAC3NPC1MEN1KMT2ALMNA
SCHEMBL25822585 0.80 GRM4 (0.42) GRM4NPC1MEN1KMT2AL3MBTL1
SCHEMBL3158828 0.78 GAA (0.44) MEN1KMT2AGAALMNAALDH1A1
SCHEMBL5238222 0.78 ALOX5 (0.51) HDAC3NPC1MEN1KMT2AL3MBTL1
SCHEMBL25822612 0.77 CES1 (0.50) NPC1MEN1KMT2AL3MBTL1GAA
SCHEMBL3153818 0.76 NPC1 (0.45) NPC1KMT2AL3MBTL1GAALMNA
SCHEMBL22075266 0.76 ERCC5 (0.40) HDAC3MEN1KMT2AL3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US 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 (1 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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A GRM4 2052/4885HDAC3 1730/4885NPC1 3796/4885

“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.