SCHEMBL23389693

SCHEMBL23389693

Cc1cccc(-c2nc3n(c2-c2ccc4ncc(-c5cn[nH]c5)cc4c2)CCNC3)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 17/20 0.52
▸ MAPK14 Q16539 1/20 0.36
▸ CYP2D6 P10635 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ MAP3K20 Q9NYL2 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL29796364 1.00 TGFBR1 (0.52) TGFBR1MAPK14CYP2D6TGFBR2MAP3K20
SCHEMBL23408259 0.86 TGFBR1 (0.55) TGFBR1MAPK14CYP2D6TGFBR2MAP3K20
SCHEMBL30156584 0.80 TGFBR1 (0.49) TGFBR1MAPK14CYP2D6TGFBR2MAP3K20
SCHEMBL25084816 0.80 TGFBR1 (0.49) TGFBR1MAPK14CYP2D6TGFBR2MAP3K20
SCHEMBL25084555 0.77 TGFBR1 (0.42) TGFBR1MAPK14TGFBR2MAP3K20MTOR
SCHEMBL25084975 0.76 TGFBR1 (0.42) TGFBR1MAPK14
SCHEMBL30155714 0.76 TGFBR1 (0.43) TGFBR1CYP2D6TGFBR2MAP3K20
SCHEMBL25084814 0.76 TGFBR1 (0.43) TGFBR1CYP2D6TGFBR2MAP3K20
SCHEMBL23389778 0.72 TGFBR1 (0.43) TGFBR1MAPK14CYP2D6TGFBR2MAP3K20
SCHEMBL29796457 0.72 TGFBR1 (0.43) TGFBR1MAPK14CYP2D6TGFBR2MAP3K20

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
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

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 211/4885MAPK14 1504/4885CYP2D6 3809/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A TGFBR1 211/4885MAPK14 1504/4885CYP2D6 3809/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885MAPK14 1504/4885CYP2D6 3809/4885

“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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