SCHEMBL3524575

SCHEMBL3524575

CS(=O)(=O)N(c1ncc(C(=S)c2ccccc2)c(N)n1)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.40
CDK1 P06493 4/20 0.40
CDK4 P11802 4/20 0.40
CCND1 P24385 4/20 0.40
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 5/20 0.35
KCNH2 Q12809 3/20 0.35
PTPN11 Q06124 1/20 0.35
CCNA2 P20248 1/20 0.33
TYRO3 Q06418 1/20 0.33
CYP2D6 P10635 2/20 0.32
HDAC1 Q13547 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL3519635 0.89 CDK2 (0.45) CDK2CDK1CDK4CCND1SLC6A2
SCHEMBL3518105 0.85 CDK2 (0.44) CDK2CDK1CDK4CCND1SLC6A2
SCHEMBL3521307 0.84 CDK2 (0.38) CDK2CDK1CDK4CCND1SLC6A2
SCHEMBL4350208 0.80 CDK1 (0.47) CDK2CDK1CDK4CCND1SLC6A2
SCHEMBL4361247 0.80 CDK1 (0.42) CDK2CDK1CDK4CCND1KCNH2
SCHEMBL3524094 0.80 CDK1 (0.38) CDK2CDK1CDK4CCND1CDK5
SCHEMBL4350748 0.79 CDK1 (0.39) CDK2CDK1CDK4CCND1CDK5
SCHEMBL4352658 0.79 CDK1 (0.41) CDK2CDK1CDK4CCND1SLC6A2
SCHEMBL3524056 0.79 CDK1 (0.49) CDK2CDK1CDK4CCND1SLC6A2
SCHEMBL4352515 0.79 CDK1 (0.65) CDK2CDK1CDK4CCND1CDK5

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-7705009-B2 4-aminopyrimidine-5-thione derivatives HOFFMAN-LA ROCHE INC. (US) 2010-04-27 US claimed
US-20070117821-A1 4-Aminopyrimidine-5-thione derivatives DING QINGJIE 2007-05-24 US claimed
US-7705009-B2 4-aminopyrimidine-5-thione derivatives HOFFMAN-LA ROCHE INC. (US) 2010-04-27 US disclosed
US-20070117821-A1 4-Aminopyrimidine-5-thione derivatives DING QINGJIE 2007-05-24 US 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-20070117821-A1 4-Aminopyrimidine-5-thione derivatives CDK4, CDK1, CDK2 CDK2 3/4885CDK1 2/4885CDK4 1/4885

“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.