SCHEMBL25544328

SCHEMBL25544328

C=C(C)c1cnc2cc(C)ccc2c1-c1ccc(F)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.39
GRIN2B Q13224 11/20 0.37
BRD4 O60885 2/20 0.36
BRD2 P25440 2/20 0.36
BRD3 Q15059 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN1 Q05586 3/20 0.34
MAPK1 P28482 1/20 0.34
MAP2K4 P45985 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
MAPK6 Q16659 1/20 0.34
KCNH2 Q12809 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
SCHEMBL25544812 0.91 GRM5 (0.37) CSF1RGRIN2BBRD4BRD2BRD3
SCHEMBL23887686 0.86 TLR8 (0.43) CSF1RGRIN2BBRD4BRD2BRD3
SCHEMBL25544322 0.86 GRM5 (0.41) CSF1RALDH1A1HTTNPSR1HPGD
SCHEMBL23887831 0.80 MEN1 (0.45) MAPT
SCHEMBL25544325 0.79 GRIN2B (0.40) CSF1RGRIN2BGRIN1
SCHEMBL25544350 0.76 GRIN2B (0.39) GRIN2BGRIN1MAPK1MAP2K4MAPKAPK2
SCHEMBL25544406 0.74 PTGS2 (0.34)
SCHEMBL25544354 0.74 GRIN2B (0.41) GRIN2BBRD4GRIN1KCNH2
SCHEMBL25544291 0.72 ALDH1A1 (0.39) CSF1RALDH1A1
SCHEMBL25544357 0.71 PRKDC (0.39) GRIN2BGRIN1KCNH2

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 CSF1R 3474/4885GRIN2B 4413/4885BRD4 638/4885

“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.