SCHEMBL23389852

SCHEMBL23389852

Cc1cccc(-c2n[nH]c(I)c2-c2ccc3ncc(NC(=O)O)cc3n2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.39
▸ TGFBR1 P36897 15/20 0.38
▸ MAPK14 Q16539 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL23389863 0.87 LRRK2 (0.38) LRRK2TGFBR1MAPK14TGFBR2NPC1
SCHEMBL25822668 0.87 BTK (0.40) TGFBR1
SCHEMBL29967458 0.87 BTK (0.40) TGFBR1
SCHEMBL23392193 0.81 TGFBR1 (0.40) TGFBR1MAPK14
SCHEMBL29796526 0.81 TGFBR1 (0.40) TGFBR1MAPK14
SCHEMBL23418646 0.81 LRRK2 (0.37) LRRK2TGFBR1MAPK14TGFBR2NPC1
SCHEMBL29967907 0.81 LRRK2 (0.37) LRRK2TGFBR1MAPK14TGFBR2NPC1
SCHEMBL28785430 0.80 TGFBR1 (0.41) LRRK2TGFBR1MAPK14TGFBR2
SCHEMBL23408090 0.78 TGFBR1 (0.42) TGFBR1MAPK14
SCHEMBL25084936 0.75 TGFBR1 (0.37) LRRK2TGFBR1MAPK14

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 4 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-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

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 LRRK2 1645/4885TGFBR1 211/4885MAPK14 1504/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A LRRK2 1645/4885TGFBR1 211/4885MAPK14 1504/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A LRRK2 1645/4885TGFBR1 211/4885MAPK14 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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