SCHEMBL23389776

SCHEMBL23389776

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 17/20 0.43
▸ MTOR P42345 1/20 0.39
▸ CYP2D6 P10635 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ MAP3K20 Q9NYL2 1/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ CCR1 P32246 1/20 0.34
▸ CCR8 P51685 1/20 0.34

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
SCHEMBL29796572 1.00 TGFBR1 (0.43) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL23408107 0.86 TGFBR1 (0.43) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL29796536 0.84 TGFBR1 (0.43) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL23389618 0.84 TGFBR1 (0.43) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL25822576 0.83 TGFBR1 (0.43) TGFBR1IDO1
SCHEMBL23389848 0.83 TGFBR1 (0.45) TGFBR1MTORMAPK14
SCHEMBL29796586 0.83 TGFBR1 (0.45) TGFBR1MTORMAPK14
SCHEMBL23389914 0.81 TGFBR1 (0.42) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL29796624 0.81 TGFBR1 (0.42) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL4068870 0.81 TGFBR1 (0.61) TGFBR1MTORMAPK14CCR1CCR8

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 8 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
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
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
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 211/4885MTOR 2401/4885CYP2D6 3809/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A TGFBR1 211/4885MTOR 2401/4885CYP2D6 3809/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885MTOR 2401/4885CYP2D6 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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