SCHEMBL23389751

SCHEMBL23389751

Cc1cccc(-c2nn3cc(Cl)ccc3c2B(O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.37
MAPK14 Q16539 1/20 0.37
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
GBA1 P04062 1/20 0.35
RAB9A P51151 1/20 0.35
GRM5 P41594 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
SCHEMBL29796551 1.00 TGFBR1 (0.37) TGFBR1MAPK14CCR1CCR8GBA1
SCHEMBL29796504 0.81 CCR1 (0.40) TGFBR1MAPK14CCR1CCR8
SCHEMBL4868193 0.81 TGFBR1 (0.41) TGFBR1MAPK14CCR1CCR8
SCHEMBL23389936 0.81 CCR1 (0.40) TGFBR1MAPK14CCR1CCR8
SCHEMBL29796672 0.79 TGFBR1 (0.38) TGFBR1
SCHEMBL23389877 0.79 TGFBR1 (0.38) TGFBR1
SCHEMBL23408101 0.76 TGFBR1 (0.39) TGFBR1MAPK14CCR1CCR8
SCHEMBL29796646 0.76 TGFBR1 (0.39) TGFBR1MAPK14GBA1RAB9AGRM5
SCHEMBL23389792 0.76 TGFBR1 (0.39) TGFBR1MAPK14GBA1RAB9AGRM5
SCHEMBL23389927 0.71 TGFBR1 (0.49) 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
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 211/4885MAPK14 1504/4885CCR1 2735/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A TGFBR1 211/4885MAPK14 1504/4885CCR1 2735/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885MAPK14 1504/4885CCR1 2735/4885

“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.