SCHEMBL30936725

SCHEMBL30936725

Fc1ccc(Nc2cc3cn[nH]c3c(F)c2Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.40
▸ TGFBR1 P36897 3/20 0.38
▸ TRPA1 O75762 7/20 0.35
▸ GRM4 Q14833 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CDC7 O00311 2/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.34
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ KCNQ1 P51787 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 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
SCHEMBL27216867 1.00 MAOB (0.40) MAOBTGFBR1TRPA1GRM4IDO1
SCHEMBL27216850 0.89 TGFBR1 (0.38) TGFBR1GRM4IDO1KDM4EGAA
SCHEMBL30936711 0.89 TGFBR1 (0.38) TGFBR1GRM4IDO1KDM4EGAA
SCHEMBL30936735 0.89 MAOB (0.43) MAOBTGFBR1GRM4IDO1RAPGEF4
SCHEMBL27216835 0.89 MAOB (0.43) MAOBTGFBR1GRM4IDO1RAPGEF4
SCHEMBL30936717 0.86 CDC7 (0.43) CDC7MKNK1MEN1KMT2A
SCHEMBL27216839 0.86 CDC7 (0.43) CDC7MKNK1MEN1KMT2A
SCHEMBL23887998 0.86 IDO1 (0.43) TGFBR1GRM4IDO1MKNK1
SCHEMBL30176991 0.86 IDO1 (0.43) TGFBR1GRM4IDO1MKNK1
SCHEMBL30936738 0.83 MAPK1 (0.47) TGFBR1GRM4MKNK1

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-20240158404-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-05-16 — — 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-20240158404-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 MAOB 2003/4885TGFBR1 1116/4885TRPA1 4768/4885

“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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