SCHEMBL25544952

SCHEMBL25544952

Cc1ccc2c(-c3ccnc(C)c3)c(C3=CCOCC3)c(O)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.40
PIK3CD O00329 4/20 0.40
MAPK14 Q16539 11/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CSNK1E P49674 2/20 0.35
DYRK1A Q13627 1/20 0.32
CSNK1D P48730 1/20 0.31

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
SCHEMBL23887886 0.88 PIK3CD (0.40) PIK3CAPIK3CDMAPK14PIK3R1PIK3CB
SCHEMBL25544954 0.79 MAPK14 (0.39) PIK3CAPIK3CDMAPK14CSNK1ECSNK1D
SCHEMBL25544951 0.75 PDE2A (0.36) PIK3CAPIK3CD
SCHEMBL25544956 0.67 TLR9 (0.35) PIK3CD
SCHEMBL23887910 0.66 ALDH1A1 (0.38) MAPK14
SCHEMBL25544357 0.65 PRKDC (0.39) MAPK14PIK3CBCSNK1ECSNK1D
SCHEMBL25544752 0.65 MAPK14 (0.39) PIK3CAMAPK14PIK3CBCSNK1ECSNK1D
SCHEMBL25544875 0.65 TLR8 (0.39) DYRK1A
SCHEMBL23887762 0.64 DYRK1A (0.40) PIK3CAPIK3CDDYRK1A
SCHEMBL25544361 0.63 PDE10A (0.39) PIK3CAPIK3CDMAPK14PIK3R1PIK3CB

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 PIK3CA 4114/4885PIK3CD 3479/4885MAPK14 3750/4885

“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.