SCHEMBL1708523

SCHEMBL1708523

COc1ccc(OC)c(N)c1.CS(=O)(=O)Nc1ccccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.50
EGFR P00533 12/20 0.49
ZAP70 P43403 2/20 0.48
ROS1 P08922 1/20 0.42
ALK Q9UM73 1/20 0.42
MET P08581 1/20 0.42
LRRK2 Q5S007 1/20 0.42
ULK1 O75385 1/20 0.41

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
SCHEMBL1707277 0.84 ZAP70 (0.46) PTK2EGFRZAP70ROS1ALK
SCHEMBL600898 0.83 GLO1 (0.51) PTK2EGFRROS1ALKMET
SCHEMBL1707698 0.81 PTK2 (0.64) PTK2EGFRZAP70ROS1ALK
SCHEMBL1707654 0.79 ZAP70 (0.73) PTK2EGFRZAP70ROS1ALK
SCHEMBL21847030 0.79 PTK2 (0.55) PTK2EGFRALKMETLRRK2
SCHEMBL29190684 0.78 EGFR (0.45) PTK2EGFRZAP70ALKULK1
SCHEMBL29190532 0.78 EGFR (0.45) PTK2EGFRZAP70ALKMET
SCHEMBL1708524 0.77 ZAP70 (0.47) PTK2EGFRZAP70ALKMET
SCHEMBL1707782 0.75 ZAP70 (0.59) PTK2EGFRZAP70ROS1ALK
SCHEMBL25381727 0.75 EGFR (0.43) PTK2EGFRZAP70METLRRK2

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 3 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 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

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 PTK2 1584/4885EGFR 3420/4885ZAP70 1/4885

“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.