SCHEMBL6640965

SCHEMBL6640965

Nc1cnc(-c2cc(-c3ccc(O)cc3)ccc2O)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 5/20 0.50
FYN P06241 7/20 0.45
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
ALOX5 P09917 1/20 0.41
MAP4K4 O95819 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
TNIK Q9UKE5 1/20 0.40
TGFBR1 P36897 1/20 0.39
ESR2 Q92731 2/20 0.39
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6665540 0.76 NPC1 (0.74) USP7NPC1MEN1KMT2ARAB9A
SCHEMBL6637174 0.70 USP7 (0.49) USP7FYNALOX5MAP4K4MINK1
SCHEMBL16393890 0.69 ALOX5 (0.65) USP7MEN1KMT2AALOX5ESR2
SCHEMBL6638621 0.69 CDK1 (0.53) USP7NPC1MEN1KMT2AALOX5
SCHEMBL564479 0.67 ALOX15 (0.72) MEN1KMT2AALOX5ESR2KDM4E
SCHEMBL6644940 0.67 ALDH1A1 (0.46) USP7NPC1MEN1KMT2AALOX5
SCHEMBL6640763 0.67 NPC1 (0.46) USP7NPC1MEN1KMT2AALOX5
SCHEMBL6637678 0.67 LTA4H (0.65) USP7NPC1MEN1KMT2ARAB9A
SCHEMBL6642283 0.65 MEN1 (0.54) USP7NPC1MEN1KMT2AALOX5
SCHEMBL6639358 0.65 CDK1 (0.54) USP7NPC1MEN1KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP claimed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 WO claimed
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 US disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 USP7 2749/4885FYN 414/4885NPC1 1115/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 USP7 2749/4885FYN 414/4885NPC1 1115/4885

“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.