SCHEMBL30155875

SCHEMBL30155875

CNCCn1cc(-c2cnc3ccc(-c4c(-c5cccc(C)n5)nnn4Cc4cccnc4)cc3c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 9/20 0.37
▸ GRIN1 Q05586 5/20 0.36
▸ GRIN2B Q13224 5/20 0.36
▸ MET P08581 6/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL30155952 0.94 TGFBR1 (0.39) TGFBR1GRIN1GRIN2BMETCYP2C9
SCHEMBL25085092 0.93 MET (0.39) TGFBR1METCYP2C9PDE3BPDE3A
SCHEMBL25084521 0.91 TGFBR1 (0.39) TGFBR1GRIN1GRIN2BMETCYP2C9
SCHEMBL25084614 0.87 MET (0.39) TGFBR1METCYP2C9PDE3BPDE3A
SCHEMBL23389658 0.85 MET (0.37) TGFBR1METPDE3BPDE3A
SCHEMBL29796697 0.85 MET (0.37) TGFBR1METPDE3BPDE3A
SCHEMBL22075039 0.84 GRIN2B (0.40) GRIN1GRIN2BMET
SCHEMBL30579117 0.84 GRIN2B (0.40) GRIN1GRIN2BMET
SCHEMBL25085078 0.83 TGFBR1 (0.37) TGFBR1MET
SCHEMBL23408254 0.81 TGFBR1 (0.42) TGFBR1GRIN1GRIN2B

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 1 patent. 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 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 (1 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-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885GRIN1 2693/4885GRIN2B 2059/4885

“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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