SCHEMBL25085157

SCHEMBL25085157

Cc1nc(-c2nc3ccccn3c2-c2ccc3ncc(-c4cn5c(n4)CNCC5)cc3n2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ CSNK1D P48730 8/20 0.35
▸ CSNK1E P49674 8/20 0.35
▸ TGFBR1 P36897 6/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ TGFBR2 P37173 2/20 0.33
▸ INSR P06213 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32

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
SCHEMBL25084838 0.86 TGFBR1 (0.34) CSNK1DCSNK1ETGFBR1MAPK14MAPK13
SCHEMBL25085150 0.86 PDCD1 (0.37) PDCD1CD274CSNK1DCSNK1ETGFBR1
SCHEMBL25084960 0.85 PDCD1 (0.38) PDCD1CD274CSNK1DCSNK1ETGFBR1
SCHEMBL25084881 0.85 TGFBR1 (0.36) CSNK1DCSNK1ETGFBR1MAPK14MAPK13
SCHEMBL25085008 0.83 TGFBR1 (0.34) CSNK1DCSNK1ETGFBR1MAPK14MAPK13
SCHEMBL25084622 0.81 CHRNB2 (0.41) TGFBR1TGFBR2IGF1RMAPK14MAPK13
SCHEMBL30156074 0.81 CHRNB2 (0.41) TGFBR1TGFBR2IGF1RMAPK14MAPK13
SCHEMBL25084927 0.81 TLR9 (0.40) PDCD1CD274TGFBR1TLR9TLR8
SCHEMBL25085115 0.80 PDCD1 (0.38) PDCD1CD274TGFBR1TLR9TLR8
SCHEMBL25084498 0.79 TGFBR1 (0.39) CSNK1DCSNK1ETGFBR1IGF1RMAPK14

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-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 — — US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 — — 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-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A PDCD1 3348/4885CD274 3380/4885CSNK1D 782/4885

“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.

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