SCHEMBL23389969

SCHEMBL23389969

COc1[nH]nc(-c2cccc(C)n2)c1-c1ccc2ncc(Br)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 17/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ METAP2 P50579 1/20 0.33
▸ MTOR P42345 1/20 0.32
▸ GRM5 P41594 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
SCHEMBL29796618 1.00 TGFBR1 (0.38) TGFBR1MAPK14METAP2MTORGRM5
SCHEMBL29796620 0.87 TGFBR1 (0.40) TGFBR1MAPK14METAP2MTOR
SCHEMBL23407940 0.87 TGFBR1 (0.38) TGFBR1MAPK14METAP2MTOR
SCHEMBL23390032 0.87 TGFBR1 (0.40) TGFBR1MAPK14METAP2MTOR
SCHEMBL23392193 0.86 TGFBR1 (0.40) TGFBR1MAPK14METAP2MTOR
SCHEMBL29796526 0.86 TGFBR1 (0.40) TGFBR1MAPK14METAP2MTOR
SCHEMBL25084936 0.85 TGFBR1 (0.37) TGFBR1MAPK14METAP2
SCHEMBL30156314 0.85 TGFBR1 (0.37) TGFBR1MAPK14METAP2
SCHEMBL23389913 0.82 PDGFRB (0.45) TGFBR1MAPK14GRM5
SCHEMBL23389863 0.82 LRRK2 (0.38) TGFBR1MAPK14

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
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 211/4885MAPK14 1504/4885METAP2 1827/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A TGFBR1 211/4885MAPK14 1504/4885METAP2 1827/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885MAPK14 1504/4885METAP2 1827/4885

“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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