SCHEMBL23389758

SCHEMBL23389758

Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cnn([C@@H]5CCCC[C@H]5N)c4)cc3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 14/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ MAP3K20 Q9NYL2 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ MTOR P42345 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ MET P08581 2/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ ACVR1B P36896 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ TNIK Q9UKE5 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
SCHEMBL29967691 1.00 TGFBR1 (0.36) TGFBR1CYP2D6TGFBR2MAP3K20KDR
SCHEMBL23391985 0.94 TGFBR1 (0.37) TGFBR1CYP2D6TGFBR2MAP3K20MAPK14
SCHEMBL23392260 0.94 TGFBR1 (0.37) TGFBR1CYP2D6TGFBR2MAP3K20MAPK14
SCHEMBL23391900 0.87 TGFBR1 (0.38) TGFBR1CYP2D6TGFBR2MAP3K20KDR
SCHEMBL23391897 0.87 TGFBR1 (0.38) TGFBR1CYP2D6TGFBR2MAP3K20KDR
SCHEMBL23392159 0.84 IRAK4 (0.40) TGFBR1CYP2D6TGFBR2MAP3K20MAPK14
SCHEMBL23392024 0.83 IRAK4 (0.41) TGFBR1CYP2D6TGFBR2MAP3K20KDR
SCHEMBL22103184 0.82 MET (0.41) TGFBR1MAPK14PDGFRAMETTNIK
SCHEMBL22074872 0.82 MET (0.41) TGFBR1MAPK14PDGFRAMETTNIK
SCHEMBL23392175 0.79 TGFBR1 (0.45) TGFBR1KDRMAPK14PDGFRAFLT1

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 TGFBR1 211/4885CYP2D6 3809/4885TGFBR2 290/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A TGFBR1 211/4885CYP2D6 3809/4885TGFBR2 290/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885CYP2D6 3809/4885TGFBR2 290/4885

“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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