SCHEMBL2433331

SCHEMBL2433331

Cc1ccc(Nc2nc(Nc3ccc(-c4ncc[nH]4)cc3)ncc2C)cc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.63
JAK2 O60674 8/20 0.49
JAK1 P23458 8/20 0.49
JAK3 P52333 6/20 0.49
FLT3 P36888 4/20 0.49
RET P07949 2/20 0.49
WEE1 P30291 2/20 0.49
BRDT Q58F21 2/20 0.49
ALK Q9UM73 2/20 0.49
BUB1B O60566 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
TYK2 P29597 3/20 0.48
AURKA O14965 2/20 0.48
BMPR1B O00238 1/20 0.48
PLK4 O00444 1/20 0.48
STK25 O00506 1/20 0.48
CIT O14578 1/20 0.48
RIOK3 O14730 1/20 0.48
CHEK1 O14757 1/20 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
SCHEMBL270680 0.81 BRD4 (0.66) BRD4JAK2JAK1JAK3FLT3
SCHEMBL17915960 0.81 BRD4 (0.66) BRD4JAK2JAK1JAK3FLT3
SCHEMBL266278 0.79 BRD4 (0.69) BRD4JAK2JAK1JAK3FLT3
SCHEMBL763284 0.78 BRD4 (0.63) BRD4JAK2JAK1JAK3FLT3
SCHEMBL18757647 0.77 BRD4 (1.00) BRD4JAK2JAK1JAK3FLT3
SCHEMBL340765 0.76 JAK1 (0.70) BRD4JAK2JAK1JAK3TYK2
SCHEMBL265469 0.76 BRD4 (0.59) BRD4JAK2JAK1JAK3FLT3
SCHEMBL14364672 0.75 BRD4 (0.63) BRD4JAK2JAK1JAK3FLT3
SCHEMBL265332 0.74 BRD4 (0.82) BRD4JAK2JAK1JAK3FLT3
SCHEMBL266060 0.74 BRD4 (0.62) BRD4JAK2JAK1JAK3FLT3

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-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885JAK2 1/4885JAK1 4/4885

“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.