SCHEMBL6608787

SCHEMBL6608787

Nc1nc(NC2CCNCC2)sc1C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.67
CDK5R1 Q15078 7/20 0.67
CCNA2 P20248 7/20 0.60
CDK2 P24941 7/20 0.60
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
ZAP70 P43403 1/20 0.47
SRD5A2 P31213 1/20 0.44
PTPN1 P18031 1/20 0.44
NR4A2 P43354 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
SCHEMBL27589430 0.84 CCNA2 (0.51) CDK5CDK5R1CCNA2CDK2KDM4E
SCHEMBL6617604 0.83 CCNA2 (0.66) CDK5CDK5R1CCNA2CDK2KDM4E
SCHEMBL7758141 0.81 CCNA2 (0.76) CDK5CDK5R1CCNA2CDK2GSK3A
SCHEMBL3384302 0.80 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2TP53
SCHEMBL4469456 0.80 CDK5 (0.71) CDK5CDK5R1CCNA2CDK2KDM4E
SCHEMBL6605794 0.78 CDK5 (0.58) CDK5CDK5R1CCNA2CDK2KDM4E
SCHEMBL1250465 0.78 CDK5 (0.74) CDK5CDK5R1CCNA2CDK2GSK3A
SCHEMBL4488370 0.77 CCNA2 (0.71) CDK5CDK5R1CCNA2CDK2KDM4E
SCHEMBL1251123 0.76 MAPT (0.64) CDK5CDK5R1CCNA2CDK2TP53
SCHEMBL4483892 0.75 CCNA2 (0.73) CDK5CDK5R1CCNA2CDK2GSK3A

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 CDK5 749/4885CDK5R1 869/4885CCNA2 3517/4885

“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.