SCHEMBL30155819

SCHEMBL30155819

CNCCn1cc(-c2cnc3ccc(-c4c(-c5cccc(C)n5)nn5c4NCC5)cc3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 19/20 0.39
▸ TGFBR2 P37173 4/20 0.39
▸ MAP3K20 Q9NYL2 4/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK14 Q16539 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ THRB P10828 1/20 0.35

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
SCHEMBL25084602 1.00 TGFBR1 (0.39) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL25084764 0.88 TGFBR1 (0.43) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL30156066 0.80 TGFBR1 (0.38) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL25084609 0.80 TGFBR1 (0.38) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL30155618 0.80 TGFBR1 (0.36) TGFBR1TGFBR2MAP3K20MAPK14MET
SCHEMBL25085229 0.79 TGFBR1 (0.38) TGFBR1TGFBR2MAP3K20CYP2D6MET
SCHEMBL29796580 0.79 TGFBR1 (0.41) TGFBR1MAPK14METPDE3BPDE3A
SCHEMBL23389590 0.79 TGFBR1 (0.41) TGFBR1MAPK14METPDE3BPDE3A
SCHEMBL25084931 0.79 TGFBR1 (0.41) TGFBR1MAPK14METPDE3BPDE3A
SCHEMBL30156028 0.79 TGFBR1 (0.41) TGFBR1MAPK14METPDE3BPDE3A

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 211/4885TGFBR2 290/4885MAP3K20 160/4885

“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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