SCHEMBL6606574

SCHEMBL6606574

NCCCNc1nc(N)c(C(=O)C2CC2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
CDK5 Q00535 2/20 0.45
LIMK1 P53667 2/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
CDK9 P50750 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
CCNA2 P20248 12/20 0.44
CDK2 P24941 12/20 0.44
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
BRCA1 P38398 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6609299 0.92 GSK3B (0.56) GSK3BCDK5LIMK1CLK2GSK3A
Hydrochloric Acid SCHEMBL3607549 0.90 GSK3B (0.55) GSK3BCDK5LIMK1CLK2GSK3A
SCHEMBL6616768 0.79 GSK3B (0.45) GSK3BCDK5LIMK1CLK2GSK3A
SCHEMBL6659931 0.78 GSK3B (0.46) GSK3BCDK5LIMK1CLK2GSK3A
SCHEMBL4554916 0.76 GSK3B (0.49) GSK3BCDK5LIMK1CLK2GSK3A
SCHEMBL6611369 0.74 CDK5 (0.72) GSK3BCDK5LIMK1CLK2GSK3A
SCHEMBL10270155 0.71 CCNA2 (0.51) GSK3BCDK5LIMK1CLK2GSK3A
SCHEMBL6754731 0.70 CDK2 (0.58) GSK3BCDK5CDK9CCNA2CDK2
SCHEMBL10270734 0.69 MAPT (0.45) GSK3BCDK5LIMK1CLK2GSK3A
SCHEMBL7753414 0.68 GSK3B (0.69) GSK3BCDK5GSK3ACCNA2CDK2

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
CN-1547574-A Novel 2, 4-diaminothiazole derivatives ŵ��Ų�ڿ˹�˾ 2004-11-17 CN disclosed
US-20040210063-A1 Novel 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2004-10-21 US disclosed
EP-1417188-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES Novo Nordisk A/S (DK) 2004-05-12 EP disclosed
WO-2003011843-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES NOVO NORDISK A/S (DK) 2003-02-13 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-20040210063-A1 Novel 2,4-diaminothiazole derivatives GSK3B, GSK3A, GYS2 GSK3B 1/4885CDK5 749/4885LIMK1 822/4885

“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.