SCHEMBL25544502

SCHEMBL25544502

Cc1ccc2c(-c3ccc(F)c(C)c3)c(C(C)C)nc(C#N)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
USP8 P40818 2/20 0.32
USP7 Q93009 2/20 0.32
GRM2 Q14416 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
GRM5 P41594 1/20 0.30
LRRK2 Q5S007 2/20 0.30
PTGS2 P35354 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
NTRK1 P04629 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL25544512 0.82 GCGR (0.34) GCGRGRM2TRPV3LRRK2PTGS2
SCHEMBL23896020 0.81 HSD17B10 (0.43) PIM1KDR
SCHEMBL25544542 0.76 GCGR (0.36) GCGRTRPV3LRRK2AURKADAPK3
SCHEMBL23895771 0.75 GCGR (0.37) GCGRTRPV3LRRK2PTGS2AURKA
SCHEMBL23887718 0.75 GCGR (0.42) GCGRALK
SCHEMBL25544258 0.74 GCGR (0.31) GCGR
SCHEMBL25544517 0.71 KDM4E (0.36) GCGRTRPV3
SCHEMBL25544576 0.71 TP53 (0.37) PTGS2DAPK3NTRK1PIM1FLT3
SCHEMBL23887876 0.70 ESR1 (0.35) GCGR
SCHEMBL23887844 0.70 GCGR (0.36) GCGR

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 GCGR 4357/4885CYP11B1 1935/4885CYP11B2 2281/4885

“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.