SCHEMBL3205187

SCHEMBL3205187

CCN(CC)Cc1ccc(-c2c(O)[nH]c3ccc(C(=O)O)cc23)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MET P08581 1/20 0.41
TP53 P04637 1/20 0.40
CDK5 Q00535 2/20 0.40
DYRK3 O43781 1/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
CDK7 P50613 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

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
SCHEMBL3195410 0.89 FLT3 (0.47) FLT3NPC1RAB9ASMN1; SMN2MET
Hydrochloric Acid SCHEMBL3192624 0.83 FGFR1 (0.47) SMN1; SMN2TP53KDM4EALDH1A1HPGD
SCHEMBL5697770 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3183583 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3206242 0.80 BCHE (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3193236 0.78 GSK3B (0.55) FLT3METCDK5DYRK3CDK1
SCHEMBL4061164 0.74 DYRK3 (0.55) FLT3CDK5DYRK3CDK1CDK2
SCHEMBL2130483 0.70 CDK5 (0.55) FLT3CDK5DYRK3CDK1CDK2
SCHEMBL2600366 0.70 P4HA1 (0.44) FLT3NPC1RAB9ACDK5DYRK3
SCHEMBL4065913 0.69 MAPT (0.51) FLT3CDK5CDK1CDK2GSK3B

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 8 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 claimed
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) ASTRAZENECA AB (SE) 2008-11-06 US claimed
CN-1886397-A 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (gsk-3) ASTRAZENECA AB (SE) 2006-12-27 CN claimed
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
CN-1886397-A 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (gsk-3) ASTRAZENECA AB (SE) 2006-12-27 CN 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 FLT3 1020/4885NPC1 2093/4885RAB9A 3010/4885

“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.