SCHEMBL23389760

SCHEMBL23389760

Cc1cccc(-c2n[nH]cc2-c2ccc3ncc(-c4cn5c(n4)CNCC5)cc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ TGFBR1 P36897 17/20 0.40
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ TGFBR2 P37173 2/20 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
SCHEMBL29796704 1.00 PDCD1 (0.43) PDCD1CD274TGFBR1TLR9TLR8
SCHEMBL25085115 0.88 PDCD1 (0.38) PDCD1CD274TGFBR1TLR9TLR8
SCHEMBL30155568 0.86 TGFBR1 (0.44) TGFBR1PIM1PIM3PIM2TGFBR2
SCHEMBL25084619 0.86 TGFBR1 (0.44) TGFBR1PIM1PIM3PIM2TGFBR2
SCHEMBL30156122 0.85 TGFBR1 (0.43) TGFBR1TGFBR2
SCHEMBL25084878 0.85 TGFBR1 (0.43) TGFBR1TGFBR2
SCHEMBL30156157 0.85 TGFBR1 (0.40) TGFBR1PIM1TGFBR2
SCHEMBL25084648 0.85 TGFBR1 (0.40) TGFBR1PIM1TGFBR2
SCHEMBL25084682 0.85 TGFBR1 (0.38) TGFBR1PIM1PIM3PIM2
SCHEMBL30156370 0.85 TGFBR1 (0.38) TGFBR1PIM1PIM3PIM2

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 9 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
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 — — US disclosed
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
CN-114728941-A Substituted 1, 5-naphthyridines or quinolines as ALK5 inhibitors 施万生物制药研发IP有限责任公司 2022-07-08 — — CN disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US disclosed
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — WO disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — 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 (3 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-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A PDCD1 3348/4885CD274 3380/4885TGFBR1 211/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A PDCD1 3348/4885CD274 3380/4885TGFBR1 211/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A PDCD1 3348/4885CD274 3380/4885TGFBR1 211/4885

“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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