SCHEMBL23392011

SCHEMBL23392011

Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(N)cc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.43
MTOR P42345 1/20 0.43
MAPK14 Q16539 5/20 0.41
KDR P35968 2/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
PRKD1 Q15139 1/20 0.41
TNIK Q9UKE5 1/20 0.40
BMPR1A P36894 1/20 0.39
SMAD2 Q15796 1/20 0.39
TGFBR2 P37173 3/20 0.38
CYP2D6 P10635 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38
RIPK2 O43353 1/20 0.38
ACVR1B P36896 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL23408398 0.88 TGFBR1 (0.45) TGFBR1MTORMAPK14KDRPDGFRA
SCHEMBL23389618 0.86 TGFBR1 (0.43) TGFBR1MTORMAPK14KDRPDGFRA
SCHEMBL29796536 0.86 TGFBR1 (0.43) TGFBR1MTORMAPK14KDRPDGFRA
SCHEMBL23408112 0.86 TGFBR1 (0.43) TGFBR1MTORMAPK14KDRPDGFRA
SCHEMBL25085300 0.86 TGFBR1 (0.44) TGFBR1MTORMAPK14KDRPDGFRA
SCHEMBL23392259 0.84 TGFBR1 (0.44) TGFBR1MTORMAPK14KDRPDGFRA
SCHEMBL25085093 0.84 TGFBR1 (0.42) TGFBR1MTORMAPK14KDRPDGFRA
SCHEMBL23392036 0.83 TGFBR1 (0.41) TGFBR1MTORMAPK14KDRPDGFRA
SCHEMBL25084497 0.82 TGFBR1 (0.38) TGFBR1MTORMAPK14KDRPDGFRA
SCHEMBL30155936 0.82 TGFBR1 (0.38) TGFBR1MTORMAPK14KDRPDGFRA

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 TGFBR1 211/4885MTOR 2401/4885MAPK14 1504/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885MTOR 2401/4885MAPK14 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.