SCHEMBL3028140

SCHEMBL3028140

CS(=O)(=O)Nc1ccc(-c2nc(Nc3cccc(S(N)(=O)=O)c3)nc3[nH]cnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
CDK2 P24941 8/20 0.45
CDK1 P06493 7/20 0.45
CCNB1 P14635 5/20 0.45
CCNT1 O60563 4/20 0.45
CDK9 P50750 4/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
BRD4 O60885 1/20 0.44
JAK1 P23458 4/20 0.44
JAK3 P52333 4/20 0.44
CCNE1 P24864 3/20 0.43
CCNA2 P20248 2/20 0.43
PDGFRB P09619 1/20 0.43
SRC P12931 1/20 0.43
MTOR P42345 2/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 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
SCHEMBL27763075 0.86 TNNI3K (0.46) TNNI3KCDK2CDK1CCNB1CCNT1
SCHEMBL27784961 0.86 TNNI3K (0.47) TNNI3KCDK2CDK1CCNB1CCNT1
SCHEMBL27784926 0.84 CDK1 (0.47) TNNI3KCDK2CDK1CCNB1CCNT1
SCHEMBL28780326 0.82 TNNI3K (0.47) TNNI3KCDK2CDK1CCNB1CCNT1
SCHEMBL27763084 0.81 TNNI3K (0.47) TNNI3KCDK2CDK1CCNB1CCNT1
SCHEMBL27763101 0.81 TNNI3K (0.47) TNNI3KCDK2CDK1CCNB1CCNT1
SCHEMBL3023246 0.81 TNNI3K (0.47) TNNI3KMAPK8CDK2CDK1CCNB1
SCHEMBL28780327 0.81 CDK2 (0.67) TNNI3KCDK2CDK1CCNB1CCNT1
SCHEMBL3025941 0.80 CDK2 (0.46) TNNI3KCDK2CDK1CCNB1CCNT1
SCHEMBL3027642 0.80 CDK2 (0.46) TNNI3KMAPK8CDK2CDK1CCNB1

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 TNNI3K 226/4885MAPK8 159/4885MAPK10 249/4885

“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.