SCHEMBL30048005

SCHEMBL30048005

Nc1nccc(Oc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAOA P21397 1/20 0.48
KDR P35968 2/20 0.48
NUDT1 P36639 2/20 0.47
MAP4K4 O95819 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
AURKA O14965 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PRKACA P17612 1/20 0.46
ADORA2A P29274 1/20 0.46
LOX P28300 1/20 0.45
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
BCAT2 O15382 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN9A Q15858 1/20 0.44
LTA4H P09960 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL12813082 0.96 POLB (0.54) POLBMAOAKDRNUDT1MAP4K4
SCHEMBL1892428 0.85 MEN1 (0.50) POLBMAOAKDRNUDT1ALOX5AP
SCHEMBL31403749 0.82 MAP4K4 (0.51) KDRNUDT1MAP4K4NPC1RAB9A
SCHEMBL11212136 0.80 NUDT1 (0.57) NUDT1AURKAHSP90AA1PRKACAADORA2A
SCHEMBL1896504 0.80 KDR (0.71) KDRLOXL2LOX
SCHEMBL31403557 0.79 MAP4K4 (0.56) POLBNUDT1MAP4K4HSP90AA1ALOX5AP
SCHEMBL12813013 0.77 ALDH1A1 (0.55) KDRNUDT1ALDH1A1HTTTSHR
SCHEMBL12812999 0.77 MAP4K4 (0.56) KDRMAP4K4LOXL2ALDH1A1
SCHEMBL4936375 0.76 ROCK1 (0.54) KDRRAB9AALDH1A1HTT
SCHEMBL4272019 0.76 ALDH1A1 (0.47) MAP4K4LOXL2LOXBCAT2SCN9A

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
US-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2025-05-22 US disclosed
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2022-11-08 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 (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-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK POLB 1253/4885MAOA 2415/4885KDR 1059/4885
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK POLB 1253/4885MAOA 2415/4885KDR 1059/4885

“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.