SCHEMBL1707470

SCHEMBL1707470

COc1ccc(Nc2nc(Nc3cc(OC)c(CC(N)=O)cc3OC)ncc2Cl)c(NS(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 2/20 0.53
ALK Q9UM73 4/20 0.52
ROS1 P08922 1/20 0.52
EGFR P00533 13/20 0.52
MET P08581 1/20 0.51
LRRK2 Q5S007 1/20 0.51
PTK2 Q05397 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
SCHEMBL1706971 0.93 MAPK3 (0.53) MAPK3ALKROS1EGFRMET
SCHEMBL1707232 0.89 EGFR (0.56) MAPK3ALKROS1EGFRMET
SCHEMBL1707028 0.87 EGFR (0.59) MAPK3ALKROS1EGFRMET
SCHEMBL1707827 0.87 ALK (0.59) MAPK3ALKROS1EGFRMET
SCHEMBL1707373 0.87 EGFR (0.54) MAPK3ALKROS1EGFRMET
SCHEMBL1708506 0.85 EGFR (0.59) MAPK3ALKROS1EGFRMET
SCHEMBL1707112 0.85 ALK (0.64) MAPK3ALKROS1EGFRMET
SCHEMBL1707511 0.85 EGFR (0.59) MAPK3ALKROS1EGFRMET
SCHEMBL1707663 0.84 ALK (0.56) ALK
SCHEMBL1707376 0.84 EGFR (0.55) MAPK3ALKROS1EGFRMET

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 MAPK3 978/4885ALK 2709/4885ROS1 1188/4885

“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.