SCHEMBL25544324

SCHEMBL25544324

Cc1ccc2c(-c3ccc(F)cc3)c(C(C)C)c(Cl)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
GCGR P47871 8/20 0.39
APP P05067 1/20 0.38
GAA P10253 1/20 0.37
DHODH Q02127 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL25544329 0.86 GRM2 (0.36) GRM2DHODHKMT2ANPSR1ALDH1A1
SCHEMBL30367719 0.86 ESR1 (0.39) GCGRAPP
SCHEMBL23887706 0.86 ESR1 (0.39) GCGRAPP
SCHEMBL25544347 0.85 GRM2 (0.38) GRM2GCGRAPPGAADHODH
SCHEMBL30121020 0.84 MAPK14 (0.43) GRM2APPKMT2ANPSR1ALDH1A1
SCHEMBL23895947 0.84 MAPK14 (0.43) GRM2APPKMT2ANPSR1ALDH1A1
SCHEMBL30251882 0.81 GCGR (0.34) GCGRKMT2ANPSR1
SCHEMBL23884584 0.81 GCGR (0.34) GCGRKMT2ANPSR1
SCHEMBL23884523 0.77 GCGR (0.33) GCGRKMT2A
SCHEMBL30251995 0.77 GCGR (0.33) GCGRKMT2A

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 GRM2 4755/4885GCGR 4357/4885APP 927/4885

“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.