SCHEMBL25703950

SCHEMBL25703950

Cc1cc(=O)n(C)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.54
KDM4E B2RXH2 2/20 0.54
FEN1 P39748 1/20 0.51
CYP19A1 P11511 4/20 0.47
TNKS O95271 1/20 0.47
GRM4 Q14833 2/20 0.42
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8695674 0.82 BRD4 (0.48) NQO2KDM4EFEN1TNKSGRM4
SCHEMBL829613 0.81 TNKS (0.52) KDM4EFEN1TNKSGRM4CCR1
SCHEMBL21591678 0.81 FEN1 (0.50) NQO2KDM4EFEN1TNKSGRM4
SCHEMBL5871967 0.81 FEN1 (0.54) KDM4EFEN1TNKSGRM4HPGD
SCHEMBL23443327 0.79 KDM4E (0.45) KDM4ECCR1CCR8HPGDALDH1A1
SCHEMBL21593928 0.79 FEN1 (0.48) NQO2KDM4EFEN1TNKSGRM4
SCHEMBL13923062 0.79 FEN1 (0.48) NQO2KDM4EFEN1TNKSGRM4
SCHEMBL8696587 0.78 HSD17B10 (0.60) FEN1TNKSGRM4CYP2C19ALDH1A1
SCHEMBL8695958 0.76 ELANE (0.46) FEN1TNKS
SCHEMBL830438 0.76 HPGD (0.43) FEN1TNKSCYP1A2HPGDCYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 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-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds GTF3C4, HNF4A, TENT4A NQO2 20/4885KDM4E 1265/4885FEN1 2320/4885

“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.