SCHEMBL17669869

SCHEMBL17669869

CN1C(=O)C(C)(C)Oc2ccc(Nc3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3F)cc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
STK4 Q13043 10/20 0.51
JAK1 P23458 3/20 0.51
JAK3 P52333 3/20 0.51
SYK P43405 2/20 0.51
CDK2 P24941 4/20 0.49
CCNE1 P24864 2/20 0.49
CCNT1 O60563 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
CCNA2 P20248 2/20 0.48

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
SCHEMBL17669875 0.93 JAK1 (0.59) AURKAAURKBJAK1JAK3SYK
SCHEMBL1475290 0.90 JAK3 (0.62) AURKAAURKBSTK4JAK1JAK3
SCHEMBL1475146 0.84 BRD4 (0.52) AURKAAURKBSTK4JAK1JAK3
SCHEMBL1474404 0.84 JAK3 (0.72) AURKAAURKBJAK1JAK3SYK
SCHEMBL3997103 0.83 SYK (0.55) AURKAAURKBSTK4JAK1JAK3
SCHEMBL1477012 0.83 JAK1 (0.60) AURKAAURKBSTK4JAK1JAK3
SCHEMBL4002118 0.83 STK4 (0.49) AURKAAURKBSTK4JAK1JAK3
SCHEMBL1474895 0.83 STK4 (0.50) AURKAAURKBSTK4JAK1JAK3
SCHEMBL19527798 0.82 SYK (0.50) AURKAAURKBSTK4JAK1JAK3
SCHEMBL1475129 0.82 STK4 (0.47) AURKAAURKBSTK4JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732073-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US claimed
US-20160102084-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2016-04-14 US claimed

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-20160102084-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AURKA 1039/4885AURKB 555/4885STK4 770/4885

“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.