SCHEMBL30936735

SCHEMBL30936735

Fc1ccc(Nc2cc3cn[nH]c3c(F)c2Br)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.43
▸ GRM4 Q14833 5/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ PTK6 Q13882 1/20 0.39
▸ APP P05067 2/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ STK17B O94768 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 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
SCHEMBL27216835 1.00 MAOB (0.43) MAOBGRM4MAPK1BRAFTGFBR1
SCHEMBL27216867 0.89 MAOB (0.40) MAOBGRM4TGFBR1IDO1RAPGEF4
SCHEMBL30936725 0.89 MAOB (0.40) MAOBGRM4TGFBR1IDO1RAPGEF4
SCHEMBL27216850 0.85 TGFBR1 (0.38) GRM4TGFBR1IDO1TDO2KDM4E
SCHEMBL30936711 0.85 TGFBR1 (0.38) GRM4TGFBR1IDO1TDO2KDM4E
SCHEMBL27216839 0.83 CDC7 (0.43) EGFRMEN1MAPTKMT2A
SCHEMBL30936717 0.83 CDC7 (0.43) EGFRMEN1MAPTKMT2A
SCHEMBL23887998 0.82 IDO1 (0.43) GRM4BRAFTGFBR1IDO1TDO2
SCHEMBL30176991 0.82 IDO1 (0.43) GRM4BRAFTGFBR1IDO1TDO2
SCHEMBL30936738 0.80 MAPK1 (0.47) GRM4MAPK1BRAFTGFBR1PTGS1

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 2003/4885GRM4 4671/4885MAPK1 2125/4885

“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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