SCHEMBL25822774

SCHEMBL25822774

CN(C)/C=C(\C(=O)c1cccc(C(F)(F)F)n1)c1ccc2ncc(Br)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
CCR6 P51684 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SCN9A Q15858 4/20 0.33
HDAC4 P56524 1/20 0.33
AHR P35869 1/20 0.33
IRAK4 Q9NWZ3 8/20 0.33
TGFBR1 P36897 1/20 0.32
CNR2 P34972 1/20 0.32
ACKR3 P25106 1/20 0.32
FLT3 P36888 1/20 0.32
IRAK1 P51617 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL29796675 0.87 TGFBR1 (0.41) P2RX7TGFBR1
SCHEMBL23389909 0.87 TGFBR1 (0.41) P2RX7TGFBR1
SCHEMBL29796718 0.83 TGFBR1 (0.33) IRAK4TGFBR1
SCHEMBL23390024 0.83 TGFBR1 (0.33) IRAK4TGFBR1
SCHEMBL25825358 0.83 CES2 (0.38) MEN1KMT2ATGFBR1
SCHEMBL29796523 0.81 TGFBR1 (0.32) TGFBR1
SCHEMBL23389910 0.81 TGFBR1 (0.32) TGFBR1
SCHEMBL26003336 0.80 ALDH1A1 (0.36) TGFBR1KCNH2
SCHEMBL22075465 0.77 CES1 (0.37) TGFBR1
SCHEMBL22075163 0.75 CYP11B1 (0.37) GRIN2B

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 MEN1 3345/4885CCR6 1888/4885KMT2A 3260/4885

“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.