SCHEMBL3201190

SCHEMBL3201190

N#Cc1ccc2c(-c3ccc(CN4CCNC(=O)C4)c[n+]3[O-])c(O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.42
CDK1 P06493 2/20 0.40
CDK2 P24941 2/20 0.40
CDK7 P50613 2/20 0.40
DYRK3 O43781 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CAMK2G Q13555 1/20 0.40
MARK2 Q7KZI7 1/20 0.40
PIM3 Q86V86 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40
STK17A Q9UEE5 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39

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
Hydrochloric Acid SCHEMBL3196478 0.81 CDK1 (0.60) ALKCDK1CDK2CDK7DYRK3
SCHEMBL3194332 0.69 KMT2A (0.41) PARP1GRM2KMT2AATM
Hydrochloric Acid SCHEMBL3198965 0.66 CDK7 (0.66) ALKCDK1CDK2CDK7DYRK3
Hydrochloric Acid SCHEMBL3191903 0.66 CDK7 (0.68) ALKCDK1CDK2CDK7DYRK3
SCHEMBL4025806 0.65 CDK7 (0.85) ALKCDK1CDK2CDK7DYRK3
Hydrochloric Acid SCHEMBL4058368 0.64 CDK7 (0.84) ALKCDK1CDK2CDK7DYRK3
SCHEMBL17468364 0.62 CXCR4 (0.55) KMT2AATM
SCHEMBL1427302 0.62 ALDH1A1 (0.47) PARP1KMT2AATM
SCHEMBL4059150 0.62 DYRK1A (0.48) CDK1CDK2CDK7DYRK3GSK3B
SCHEMBL4067158 0.61 GSK3B (0.59) ALKCDK1CDK2CDK7DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683067-B2 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (GSK-3) ASTRAZENECA AB (SE) 2010-03-23 US disclosed
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) ASTRAZENECA AB (SE) 2008-11-06 US disclosed
EP-1667990-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2006-06-14 EP disclosed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 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 (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-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) GSK3B, GSK3A, GSKIP ALK 1581/4885CDK1 5/4885CDK2 17/4885

“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.