SCHEMBL25544607

SCHEMBL25544607

Cc1ccc2c(-c3ccc(F)cc3)c(C3CCOCC3)nc(O[C@@H](C)C(=O)O)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.33
GRM2 Q14416 1/20 0.33
TRPC3 Q13507 2/20 0.33
TRPC7 Q9HCX4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
DHODH Q02127 1/20 0.33
RXRA P19793 1/20 0.32
NTRK1 P04629 1/20 0.32
CSNK1D P48730 2/20 0.32
CSNK1E P49674 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
RIPK3 Q9Y572 1/20 0.32

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
SCHEMBL23887787 0.91 ESR1 (0.36) PRKAA2TRPC3TRPC7RXRACSNK1D
SCHEMBL23887758 0.91 ESR1 (0.36) PRKAA2TRPC3TRPC7RXRACSNK1D
SCHEMBL30121098 0.91 ESR1 (0.36) PRKAA2TRPC3TRPC7RXRACSNK1D
SCHEMBL25183693 0.91 ESR1 (0.36) PRKAA2TRPC3TRPC7RXRACSNK1D
SCHEMBL30121236 0.91 ESR1 (0.36) PRKAA2TRPC3TRPC7RXRACSNK1D
SCHEMBL25265310 0.84 ANO1 (0.39) TRPC3TRPC7LMNAHTTPLG
SCHEMBL23887703 0.84 ANO1 (0.39) TRPC3TRPC7LMNAHTTPLG
SCHEMBL25544659 0.82 PRKAA2 (0.40) PRKAA2GRM2KDM4ELMNATP53
SCHEMBL23895786 0.79 ESR1 (0.35) PRKAA2GRM2RXRA
SCHEMBL23896017 0.78 ESR1 (0.35) PRKAA2TRPC3TRPC7KDM4EHPGD

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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 PRKAA2 2465/4885GRM2 4755/4885TRPC3 4848/4885

“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.