SCHEMBL20090463

SCHEMBL20090463

Cc1cc(Cc2c[nH]c3ncc(-c4cccc(NS(C)(=O)=O)c4)cc23)n(C)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 8/20 0.51
PIK3CA P42336 2/20 0.48
BTK Q06187 4/20 0.43
ITK Q08881 4/20 0.43
CYP3A4 P08684 2/20 0.42
MAP4K1 Q92918 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
NTRK1 P04629 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KIT P10721 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL857600 0.79 TNIK (0.48) TNIKPIK3CABTKITKCLK1
SCHEMBL414901 0.76 KIT (0.50) TNIKPIK3CABTKITKCYP3A4
SCHEMBL415724 0.75 TNIK (0.51) TNIKPIK3CABTKITKCYP3A4
SCHEMBL15557175 0.75 PIK3CA (0.61) TNIKPIK3CABTKITKCYP3A4
SCHEMBL4301666 0.74 PIK3CA (0.51) TNIKPIK3CABTKITKCLK1
SCHEMBL4746500 0.72 TNIK (0.58) TNIKPIK3CACYP3A4CLK1DYRK1A
SCHEMBL3807981 0.71 SGK1 (0.67) TNIKPIK3CACLK1DYRK1ADYRK2
SCHEMBL12763541 0.71 KIT (0.64) TNIKPIK3CAMAP4K1CLK1DYRK1A
SCHEMBL3771136 0.71 TNIK (0.64) TNIKPIK3CACLK1DYRK1ADYRK2
SCHEMBL878650 0.70 TNIK (0.54) TNIKPIK3CABTKITKCYP3A4

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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TNIK 313/4885PIK3CA 79/4885BTK 81/4885

“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.