SCHEMBL3086572

SCHEMBL3086572

N#Cc1c[nH]c(=O)c2sc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 1/20 0.40
MCL1 Q07820 9/20 0.39
DYRK1A Q13627 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CHEK1 O14757 1/20 0.37
GSK3B P49841 2/20 0.36
CDK2 P24941 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35

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
SCHEMBL3088202 0.87 GSK3B (0.41) DPYDMCL1DYRK1AKDM4EALDH1A1
SCHEMBL24097690 0.75 ALDH1A1 (0.34) ALDH1A1GSK3B
SCHEMBL3079997 0.70 NEK1 (0.42) DPYDMCL1DYRK1AKDM4EALDH1A1
SCHEMBL31435186 0.69 CHEK1 (0.57) DPYDMCL1DYRK1AKDM4EALDH1A1
SCHEMBL13606460 0.68 GSK3B (0.41) DPYDMCL1KDM4EALDH1A1HPGD
SCHEMBL4351095 0.68 GSK3B (0.41) DPYDMCL1DYRK1AKDM4EALDH1A1
SCHEMBL3069301 0.66 MCL1 (0.58) DPYDMCL1KDM4EALDH1A1HPGD
SCHEMBL25755670 0.66 DPYD (0.41) DPYDMCL1DYRK1AKDM4EALDH1A1
SCHEMBL15281526 0.65 GSK3B (0.33) GSK3B
SCHEMBL2233362 0.65 GSK3B (0.30) GSK3B

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
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2144630-A2 CHK1 INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES AstraZeneca AB (SE) 2010-01-20 EP disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
WO-2008132500-A2 CHKL INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2008-11-06 WO disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 DPYD 511/4885MCL1 362/4885DYRK1A 1115/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 DPYD 1773/4885MCL1 3/4885DYRK1A 982/4885

“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.