SCHEMBL29967907

SCHEMBL29967907

COC(=O)Nc1cnc2ccc(-c3c(-c4cccc(C)n4)n[nH]c3OC)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.37
▸ TGFBR1 P36897 12/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ TGFBR2 P37173 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL23418646 1.00 LRRK2 (0.37) LRRK2TGFBR1KMT2AMAPK14TGFBR2
SCHEMBL23389863 0.94 LRRK2 (0.38) LRRK2TGFBR1KMT2AMAPK14TGFBR2
SCHEMBL30156314 0.88 TGFBR1 (0.37) LRRK2TGFBR1MAPK14
SCHEMBL25084936 0.88 TGFBR1 (0.37) LRRK2TGFBR1MAPK14
SCHEMBL28785425 0.81 TGFBR1 (0.40) LRRK2TGFBR1MAPK14
SCHEMBL23407940 0.81 TGFBR1 (0.38) TGFBR1MAPK14
SCHEMBL29796618 0.81 TGFBR1 (0.38) TGFBR1MAPK14
SCHEMBL23389969 0.81 TGFBR1 (0.38) TGFBR1MAPK14
SCHEMBL23390032 0.81 TGFBR1 (0.40) TGFBR1MAPK14TGFBR2
SCHEMBL29796620 0.81 TGFBR1 (0.40) TGFBR1MAPK14TGFBR2

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 3 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
EP-4061809-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2022-09-28 — — EP 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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A LRRK2 1645/4885TGFBR1 211/4885KMT2A 3260/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A LRRK2 1645/4885TGFBR1 211/4885KMT2A 3260/4885

“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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