SCHEMBL30936738

SCHEMBL30936738

Fc1cccc(Nc2cc3cn[nH]c3c(F)c2Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.47
▸ EGFR P00533 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ AKT1 P31749 1/20 0.41
▸ MAP4K4 O95819 3/20 0.40
▸ PDGFRB P09619 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ CDK8 P49336 2/20 0.40
▸ PRKX P51817 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ LTK P29376 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40

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
SCHEMBL27216855 1.00 MAPK1 (0.47) MAPK1HTTMKNK1EGFRCCNA2
SCHEMBL27216839 0.85 CDC7 (0.43) MKNK1EGFRPRKD3NPC1RAB9A
SCHEMBL30936717 0.85 CDC7 (0.43) MKNK1EGFRPRKD3NPC1RAB9A
SCHEMBL30936725 0.83 MAOB (0.40) MKNK1GRM4TGFBR1
SCHEMBL27216867 0.83 MAOB (0.40) MKNK1GRM4TGFBR1
SCHEMBL30936711 0.80 TGFBR1 (0.38) CDK2GRM4TGFBR1
SCHEMBL30936735 0.80 MAOB (0.43) MAPK1EGFRBRAFPTGS1PTGS2
SCHEMBL27216835 0.80 MAOB (0.43) MAPK1EGFRBRAFPTGS1PTGS2
SCHEMBL27216850 0.80 TGFBR1 (0.38) CDK2GRM4TGFBR1
SCHEMBL22655491 0.78 ADORA3 (0.35) MKNK1BRAFROCK2

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 MAPK1 2125/4885HTT 1193/4885MKNK1 3216/4885

“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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