SCHEMBL3016793

SCHEMBL3016793

NS(=O)(=O)c1cccc(Nc2ncc3nc[nH]c3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.57
CDK2 P24941 9/20 0.57
CCNT1 O60563 7/20 0.57
CCNB1 P14635 7/20 0.57
CDK9 P50750 7/20 0.57
CDK5 Q00535 5/20 0.57
CCNE1 P24864 4/20 0.57
CDK5R1 Q15078 3/20 0.57
CCNA2 P20248 3/20 0.57
CCND3 P30281 1/20 0.57
FLT3 P36888 1/20 0.57
CDK6 Q00534 1/20 0.57
AURKA O14965 3/20 0.53
DCLK1 O15075 3/20 0.53
JAK3 P52333 3/20 0.53
AURKB Q96GD4 3/20 0.53
EGFR P00533 3/20 0.53
NTRK1 P04629 3/20 0.53
PDPK1 O15530 2/20 0.53
JAK2 O60674 2/20 0.53

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
Hydrochloric Acid SCHEMBL7659966 0.77 CDK1 (0.58) CDK1CDK2FLT3JAK3PDPK1
SCHEMBL3026520 0.77 CDK2 (0.60) CDK1CDK2CDK5CDK5R1FLT3
SCHEMBL27152320 0.76 CDK1 (0.60) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL30847388 0.76 CDK1 (0.60) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL27109966 0.76 CDK1 (0.60) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3023246 0.75 TNNI3K (0.47) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL1632161 0.75 CDK1 (0.59) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL4005818 0.75 JAK3 (0.71) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL1633964 0.75 SYK (0.57) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3620313 0.74 CDK1 (0.55) CDK1CDK2CCNT1CCNB1CDK9

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 1 patent. 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

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 CDK1 60/4885CDK2 137/4885CCNT1 783/4885

“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.