SCHEMBL1707650

SCHEMBL1707650

COc1cccc(Nc2ncc(Br)c(Nc3ccccc3NS(C)(=O)=O)n2)c1OC

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.63
ULK1 O75385 1/20 0.55
PTK2 Q05397 4/20 0.55
ZAP70 P43403 2/20 0.52
CDK19 Q9BWU1 1/20 0.51
ALK Q9UM73 1/20 0.51
MET P08581 1/20 0.49
LRRK2 Q5S007 1/20 0.49

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
SCHEMBL9911241 0.92 EGFR (0.69) EGFRULK1PTK2ZAP70CDK19
Hydrochloric Acid SCHEMBL1708532 0.91 EGFR (0.68) EGFRULK1PTK2ZAP70CDK19
SCHEMBL1034549 0.87 ULK1 (0.73) EGFRULK1PTK2ZAP70CDK19
SCHEMBL1707870 0.87 EGFR (0.69) EGFRULK1PTK2ZAP70MET
SCHEMBL1707698 0.84 PTK2 (0.64) EGFRULK1PTK2ZAP70ALK
SCHEMBL1707654 0.84 ZAP70 (0.73) EGFRPTK2ZAP70ALKMET
SCHEMBL1037539 0.83 EGFR (0.62) EGFRULK1PTK2ZAP70CDK19
SCHEMBL1039787 0.82 EGFR (0.59) EGFRULK1PTK2ZAP70CDK19
SCHEMBL1708495 0.82 EGFR (0.58) EGFRULK1ZAP70CDK19ALK
SCHEMBL9911244 0.82 EGFR (0.57) EGFRZAP70ALKLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US claimed
EP-2440534-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2012-04-18 EP claimed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 WO claimed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
EP-2440534-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2012-04-18 EP disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 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 (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-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS ZAP70, LCK, DPY30 EGFR 3420/4885ULK1 2633/4885PTK2 1584/4885

“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.