SCHEMBL25544235

SCHEMBL25544235

Cc1ccc2c(-c3ccc(F)cc3)c(C(C)C)nc(Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.45
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 1/20 0.36
GRM2 Q14416 1/20 0.36

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 0.86 GCGR (0.34) GCGRMAPK14GRM2
SCHEMBL23887823 0.76 ANO1 (0.42) GCGR
SCHEMBL30121018 0.76 ANO1 (0.42) GCGR
SCHEMBL25544230 0.75 GCGR (0.38) GCGR
SCHEMBL25544324 0.75 GRM2 (0.43) GCGRGRM2
SCHEMBL25544473 0.72 KDM4E (0.40) GCGR
SCHEMBL25544649 0.72 PRKAA2 (0.34) GRM2
SCHEMBL25544237 0.69 PTGS2 (0.36) GRM2
SCHEMBL25544502 0.68 GCGR (0.33) GCGRGRM2
SCHEMBL23887718 0.68 GCGR (0.42) 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 4357/4885MAPK10 3233/4885MAPK14 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.