SCHEMBL25544649

SCHEMBL25544649

Cc1ccc2c(-c3ccc(F)cc3)c(C3CCOCC3)nc(Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.34
PDE2A O00408 2/20 0.34
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
HPGD P15428 2/20 0.32
GRM2 Q14416 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KIT P10721 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CFTR P13569 1/20 0.32

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
SCHEMBL25544569 0.88 PDE2A (0.35) PDE2A
SCHEMBL25544659 0.83 PRKAA2 (0.40) PRKAA2GRM2MAPTALDH1A1SMN1; SMN2
SCHEMBL25544651 0.81 ABL1 (0.36) PRKAA2PDE2APDE1APDE1BPDE1C
SCHEMBL25544271 0.79 HPGD (0.32) PRKAA2PDE2AHPGDALDH1A1GAA
SCHEMBL25544319 0.79 GRM2 (0.38) PRKAA2PDE2AGSK3AGSK3BHPGD
SCHEMBL23887873 0.78 PARP14 (0.41) PRKAA2
SCHEMBL25544607 0.77 PRKAA2 (0.33) PRKAA2HPGDGRM2HTTALDH1A1
SCHEMBL25544673 0.74 ALDH1A1 (0.38) PDE1APDE1BPDE1CNPC1HTT
SCHEMBL25549283 0.73 ESR1 (0.36) PRKAA2MAPTPIK3CA
SCHEMBL24469242 0.72 HDAC1 (0.37) SIGMAR1

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 PRKAA2 2465/4885PDE2A 1868/4885PDE1A 3696/4885

“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.