SCHEMBL25822613

SCHEMBL25822613

CN(C)/C=C(/C(=O)c1ccccn1)c1ccc2ncc(Br)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
CTNNB1 P35222 3/20 0.36
WNT3A P56704 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
PLK1 P53350 1/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34

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
SCHEMBL26003348 0.87 MGAM (0.38) KDM4EMAPTALOX15HTTMEN1
SCHEMBL23389740 0.86 CYP11B1 (0.35) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29796488 0.86 CYP11B1 (0.35) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL25825358 0.84 CES2 (0.38) CES1CES2TLR7KDM4EMAPT
SCHEMBL25822612 0.83 CES1 (0.50) CES1CES2TLR7CTNNB1WNT3A
SCHEMBL26003336 0.73 ALDH1A1 (0.36) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL25822604 0.71 GRM4 (0.42) CES1CES2TLR7CTNNB1WNT3A
SCHEMBL26003351 0.71 MGAM (0.47) CES1CES2ALOX15HTTMEN1
SCHEMBL29796675 0.71 TGFBR1 (0.41) MAPTHTTNPC1ALDH1A1SMN1; SMN2
SCHEMBL23389909 0.71 TGFBR1 (0.41) MAPTHTTNPC1ALDH1A1SMN1; SMN2

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 CES1 2638/4885CES2 2051/4885TLR7 1956/4885

“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.