SCHEMBL27216850

SCHEMBL27216850

Cc1cc(Nc2cc3cn[nH]c3c(F)c2Br)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 7/20 0.38
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ SLC2A1 P11166 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C8 P10632 2/20 0.35
▸ TDO2 P48775 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 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
SCHEMBL30936711 1.00 TGFBR1 (0.38) TGFBR1GAAGFERGRM4SLC2A1
SCHEMBL30936725 0.89 MAOB (0.40) TGFBR1GAAGFERGRM4IDO1
SCHEMBL27216867 0.89 MAOB (0.40) TGFBR1GAAGFERGRM4IDO1
SCHEMBL30936715 0.86 LRRK2 (0.35) TGFBR1SLC2A1TDO2IDO1P2RX7
SCHEMBL27216827 0.86 LRRK2 (0.35) TGFBR1SLC2A1TDO2IDO1P2RX7
SCHEMBL27216835 0.85 MAOB (0.43) TGFBR1GRM4LMNATDO2IDO1
SCHEMBL30936735 0.85 MAOB (0.43) TGFBR1GRM4LMNATDO2IDO1
SCHEMBL23887998 0.85 IDO1 (0.43) TGFBR1GRM4TDO2IDO1
SCHEMBL30176991 0.85 IDO1 (0.43) TGFBR1GRM4TDO2IDO1
SCHEMBL30936717 0.83 CDC7 (0.43) SLC2A1HTR2AHTR2CMAPT

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 2 patents. 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
WO-2024054624-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-03-14 — — WO 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 TGFBR1 1116/4885GAA 142/4885GFER 2732/4885

“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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