SCHEMBL23534278

SCHEMBL23534278

Cc1nc(N)ncc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
NUDT1 P36639 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PSMB5 P28074 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3R1 P27986 1/20 0.36
MTOR P42345 1/20 0.36
MAP3K12 Q12852 1/20 0.35
ABL1 P00519 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP17A1 P05093 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
SCHEMBL30060829 1.00 ALDH1A1 (0.37) ALDH1A1CYP1A2HPGDNUDT1HSD17B10
SCHEMBL2444528 0.79 DHFR (0.41) ALOX5APFEN1ADORA2AADORA1
SCHEMBL30714999 0.79 DHFR (0.41) ALOX5APFEN1ADORA2AADORA1
SCHEMBL18072628 0.79 PDK2 (0.44) PSMB5CYP17A1
SCHEMBL4430428 0.78 HRH2 (0.35) HSD17B10ALOX5APFEN1ADORA2AADORA1
SCHEMBL29903805 0.76 ALOX5AP (0.40) ALDH1A1HPGDNUDT1HSD17B10ALOX5AP
SCHEMBL12541975 0.76 DHFR (0.37)
SCHEMBL23534307 0.76 ALOX5AP (0.40) ALDH1A1HPGDNUDT1HSD17B10ALOX5AP
SCHEMBL12541973 0.76 DHFR (0.37)
SCHEMBL10002365 0.73 MEN1 (0.39) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076460-B1 1,4-DIHYDRO-2H-SPIRO[ISOQUINOLINE-3,4'-PIPERIDINE DERIVATIVES AS PRMT5 INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME LLC (US) 2026-01-21 EP disclosed
US-12441730-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2025-10-14 US disclosed
US-20230114091-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-13 US disclosed
WO-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
WO-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO 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 (2 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-20230114091-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 ALDH1A1 1341/4885CYP1A2 1963/4885HPGD 1246/4885
US-12441730-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 ALDH1A1 1341/4885CYP1A2 1963/4885HPGD 1246/4885

“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.