SCHEMBL23392159

SCHEMBL23392159

Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cnn(C5CNC5)c4)cc3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ TGFBR1 P36897 11/20 0.36
▸ MTOR P42345 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ MAP3K20 Q9NYL2 1/20 0.36
▸ KHK P50053 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MET P08581 3/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ JAK1 P23458 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
SCHEMBL23392024 0.92 IRAK4 (0.41) IRAK4IRAK1TGFBR1CYP2D6TGFBR2
SCHEMBL30155953 0.88 MELK (0.36) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL23389758 0.84 TGFBR1 (0.36) IRAK4IRAK1TGFBR1MTORCYP2D6
SCHEMBL29967691 0.84 TGFBR1 (0.36) IRAK4IRAK1TGFBR1MTORCYP2D6
SCHEMBL25085211 0.81 TGFBR1 (0.40) TGFBR1MTORMAPK14METPIK3CA
SCHEMBL23392175 0.80 TGFBR1 (0.45) TGFBR1MTORMAPK14MET
SCHEMBL23391953 0.79 TGFBR1 (0.38) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL23392209 0.78 TGFBR1 (0.39) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL25084657 0.78 FLT3 (0.43) IRAK4TGFBR1MTORCYP2D6TGFBR2
SCHEMBL30156407 0.78 FLT3 (0.43) IRAK4TGFBR1MTORCYP2D6TGFBR2

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-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 — — US claimed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 IRAK4 330/4885IRAK1 484/4885TGFBR1 211/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A IRAK4 330/4885IRAK1 484/4885TGFBR1 211/4885

“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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