SCHEMBL6637115

SCHEMBL6637115

Nc1nc(-c2ccc3[nH]ccc3c2)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 5/20 0.51
DYRK1A Q13627 2/20 0.46
DYRK2 Q92630 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
CLK1 P49759 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
RAD51 Q06609 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 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
SCHEMBL7118466 0.84 GUSB (0.50) GUSBDYRK1ADYRK2DYRK1BCLK1
SCHEMBL6638958 0.81 CDK1 (0.47) GUSBCLK1CA12CA1CA2
SCHEMBL6642283 0.80 MEN1 (0.54) CA12CA1CA2CA9NPC1
SCHEMBL6641450 0.79 MEN1 (0.52) CA12CA1CA2CA9NPC1
SCHEMBL27500072 0.78 USP2 (0.70) GUSBDYRK1ADYRK2DYRK1BCLK1
SCHEMBL6640763 0.77 NPC1 (0.46) DYRK1ANPC1MEN1LMNACYP1A2
SCHEMBL6642648 0.76 MEN1 (0.49) CA12CA1CA2CA9NPC1
SCHEMBL6642377 0.75 MEN1 (0.45) NPC1MEN1LMNACYP1A2MAPT
SCHEMBL6639358 0.75 CDK1 (0.54) NPC1MEN1LMNACYP1A2MAPT
SCHEMBL6638090 0.75 HSP90AA1 (0.49) DYRK1ADYRK1BNPC1MEN1LMNA

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 3 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
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 GUSB 3741/4885DYRK1A 666/4885DYRK2 603/4885

“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.