SCHEMBL6617604

SCHEMBL6617604

CC(C)(C)OC(=O)N1CCC(Nc2nc(N)c(C(=O)c3cccc(OCc4ccccc4)c3)s2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.66
CDK2 P24941 4/20 0.66
PRMT5 O14744 4/20 0.49
CDK5 Q00535 5/20 0.46
CDK5R1 Q15078 5/20 0.46
YAP1 P46937 3/20 0.45
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
ZAP70 P43403 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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 0.89 CCNA2 (0.51) CCNA2CDK2CDK5CDK5R1KDM4E
SCHEMBL3384712 0.84 CCNA2 (0.74) CCNA2CDK2CDK5CDK5R1ALDH1A1
SCHEMBL6608787 0.83 CDK5 (0.67) CCNA2CDK2CDK5CDK5R1KDM4E
SCHEMBL7385055 0.78 PRMT5 (0.56) PRMT5YAP1HTTALDH1A1
SCHEMBL6408297 0.78 CDK2 (0.70) CCNA2CDK2CDK5CDK5R1HTT
SCHEMBL3388417 0.77 CCNA2 (0.66) CCNA2CDK2CDK5CDK5R1TP53
SCHEMBL6616475 0.77 CDK5 (0.52) CCNA2CDK2CDK5CDK5R1KDM4E
SCHEMBL4469456 0.76 CDK5 (0.71) CCNA2CDK2CDK5CDK5R1KDM4E
SCHEMBL7758141 0.76 CCNA2 (0.76) CCNA2CDK2CDK5CDK5R1GSK3A
SCHEMBL3387481 0.74 CDK5 (0.65) CCNA2CDK2CDK5CDK5R1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNA2 3517/4885CDK2 507/4885PRMT5 2515/4885

“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.