SCHEMBL25544282

SCHEMBL25544282

Cc1ccc2c(Br)c(C3CCOCC3)ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
CHRM4 P08173 1/20 0.34
PDE2A O00408 2/20 0.34
MAPK1 P28482 1/20 0.33
PARP14 Q460N5 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
SOS1 Q07889 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 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
SCHEMBL25544651 0.78 ABL1 (0.36) PDE2AABL1PIK3CAMTOR
SCHEMBL25544713 0.77 PDE2A (0.37) IRAK4PDE2AMAPK1ABL1
SCHEMBL25544660 0.74 CFTR (0.33) CFTRIRAK4PDE2APARP14KDM4E
SCHEMBL25544555 0.71 CNR1 (0.33) CFTR
SCHEMBL25544722 0.70 ACHE (0.34) CFTRIRAK4PARP14
SCHEMBL15167918 0.69 CHRM4 (0.39) CHRM4MAPK1KDM5B
SCHEMBL30762491 0.69 CFTR (0.43) CFTRKDM4E
SCHEMBL30659788 0.66 MAPK1 (0.42) CHRM4MAPK1
SCHEMBL20657629 0.66 MAPK1 (0.42) CHRM4MAPK1
SCHEMBL25544544 0.66 CYP1A2 (0.39) KDM4E

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 CFTR 323/4885IRAK4 3886/4885CHRM4 4146/4885

“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.