SCHEMBL23389914

SCHEMBL23389914

Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cn[nH]c4)cc3n2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 17/20 0.42
▸ MTOR P42345 1/20 0.40
▸ MAPK14 Q16539 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 2/20 0.37
▸ FGFR3 P22607 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ MAP3K20 Q9NYL2 1/20 0.36
▸ FGFR4 P22455 1/20 0.35

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
SCHEMBL29796624 1.00 TGFBR1 (0.42) TGFBR1MTORMAPK14ACVR1FGFR1
SCHEMBL23392036 0.87 TGFBR1 (0.41) TGFBR1MTORMAPK14ACVR1KDR
SCHEMBL30156574 0.84 TGFBR1 (0.43) TGFBR1MTORMAPK14
SCHEMBL25084686 0.84 TGFBR1 (0.43) TGFBR1MTORMAPK14
SCHEMBL25085169 0.84 TGFBR1 (0.44) TGFBR1MAPK14ACVR1FGFR1FGFR2
SCHEMBL30156447 0.82 TGFBR1 (0.43) TGFBR1MTORMAPK14FGFR1FGFR2
SCHEMBL25084909 0.82 TGFBR1 (0.43) TGFBR1MTORMAPK14FGFR1FGFR2
SCHEMBL23389776 0.81 TGFBR1 (0.43) TGFBR1MTORMAPK14CYP2D6TGFBR2
SCHEMBL23408107 0.81 TGFBR1 (0.43) TGFBR1MTORMAPK14CYP2D6TGFBR2
SCHEMBL29796572 0.81 TGFBR1 (0.43) TGFBR1MTORMAPK14CYP2D6TGFBR2

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 10 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
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 211/4885MTOR 2401/4885MAPK14 1504/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A TGFBR1 211/4885MTOR 2401/4885MAPK14 1504/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885MTOR 2401/4885MAPK14 1504/4885

“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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