SCHEMBL3025941

SCHEMBL3025941

C[S+]([O-])c1cccc(-c2nc(Nc3cccc(S(N)(=O)=O)c3)nc3[nH]cnc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.46
CDK1 P06493 8/20 0.46
CCNB1 P14635 7/20 0.46
CCNT1 O60563 6/20 0.46
CDK9 P50750 6/20 0.46
CCNE1 P24864 4/20 0.46
CCNA2 P20248 4/20 0.46
TNNI3K Q59H18 1/20 0.44
CDK7 P50613 3/20 0.43
CCNH P51946 3/20 0.43
SRC P12931 2/20 0.41
PDGFRB P09619 1/20 0.41
CCNB2 O95067 4/20 0.41
CCNB3 Q8WWL7 4/20 0.41
CCNE2 O96020 3/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CCNA1 P78396 3/20 0.41
NEK2 P51955 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL27784961 0.85 TNNI3K (0.47) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL27763075 0.80 TNNI3K (0.46) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL3028140 0.80 TNNI3K (0.46) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL28780326 0.80 TNNI3K (0.47) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL3023246 0.79 TNNI3K (0.47) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL27763084 0.79 TNNI3K (0.47) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL27763101 0.79 TNNI3K (0.47) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL28780327 0.79 CDK2 (0.67) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL27784926 0.78 CDK1 (0.47) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL23683097 0.77 CDK2 (0.73) CDK2CDK1CCNB1CCNT1CDK9

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-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 US disclosed
EP-2118105-A1 PURINE DERIVATIVES Palau Pharma, S.A. (ES) 2009-11-18 EP disclosed
WO-2008090181-A1 PURINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2008-07-31 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 CDK2 137/4885CDK1 60/4885CCNB1 1478/4885

“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.