SCHEMBL25544751

SCHEMBL25544751

Cc1ccc2c(-c3ccc(F)cc3)c(C3=CCOCC3)c[n+]([O-])c2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.36
CSNK1E P49674 4/20 0.35
CSNK1D P48730 3/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
IDH2 P48735 1/20 0.33
NTRK1 P04629 1/20 0.32
ALK Q9UM73 1/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 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
SCHEMBL25544932 0.89 MAPK14 (0.36) MAPK14CSNK1ECSNK1DPDE3BPDE3A
SCHEMBL25544373 0.80 SCN9A (0.36) MAPK14CSNK1EPDE3BPDE3A
SCHEMBL25192641 0.80 MAOB (0.38) MAPK14CSNK1ECSNK1D
SCHEMBL25544752 0.77 MAPK14 (0.39) MAPK14CSNK1ECSNK1DCCNT1CDK9
SCHEMBL25544773 0.73 SLC6A2 (0.32)
SCHEMBL30121044 0.73 NPC1 (0.34) LMNA
SCHEMBL23887788 0.73 NPC1 (0.34) LMNA
SCHEMBL25544376 0.71 ACHE (0.35)
SCHEMBL25191961 0.67 SCN9A (0.34) MAPK14CCNT1CDK9
SCHEMBL25544357 0.66 PRKDC (0.39) MAPK14CSNK1ECSNK1DPDE3BPDE3A

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 MAPK14 3750/4885CSNK1E 2476/4885CSNK1D 1150/4885

“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.