SCHEMBL301681

SCHEMBL301681

CCNc1ncc(C)c(Nc2cccc(S(=O)(=O)NC3CCCC3)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.61
JAK3 P52333 8/20 0.47
JAK1 P23458 7/20 0.47
JAK2 O60674 4/20 0.47
EGFR P00533 3/20 0.47
BTK Q06187 3/20 0.47
RET P07949 3/20 0.47
WEE1 P30291 3/20 0.47
FLT3 P36888 3/20 0.47
ALK Q9UM73 3/20 0.47
BRDT Q58F21 2/20 0.47
PLK4 O00444 2/20 0.47
CHEK1 O14757 2/20 0.47
AURKA O14965 2/20 0.47
DCLK1 O15075 2/20 0.47
DAPK3 O43293 2/20 0.47
ROCK2 O75116 2/20 0.47
PAK4 O96013 2/20 0.47
ABL1 P00519 2/20 0.47
NTRK1 P04629 2/20 0.47

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
SCHEMBL10260023 0.99 BRD4 (0.60) BRD4JAK3JAK1JAK2EGFR
SCHEMBL12111060 0.92 BRD4 (0.58) BRD4JAK3JAK1JAK2EGFR
SCHEMBL17915906 0.88 BRD4 (0.63) BRD4JAK3JAK1JAK2EGFR
SCHEMBL270523 0.86 BRD4 (0.61) BRD4JAK3JAK1JAK2EGFR
SCHEMBL13494388 0.86 BRD4 (0.57) BRD4JAK3JAK1JAK2EGFR
SCHEMBL270606 0.86 BRD4 (0.60) BRD4JAK3JAK1JAK2EGFR
SCHEMBL10260435 0.85 GAK (0.55) BRD4JAK3JAK1JAK2EGFR
SCHEMBL10260824 0.84 BRD4 (0.57) BRD4JAK3JAK1JAK2EGFR
SCHEMBL10259942 0.84 BRD4 (0.63) BRD4JAK3JAK1JAK2EGFR
SCHEMBL10261607 0.82 JAK1 (0.59) BRD4JAK3JAK1JAK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 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 (3 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK BRD4 156/4885JAK3 4/4885JAK1 6/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885JAK3 3/4885JAK1 4/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885JAK3 3/4885JAK1 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.