SCHEMBL1707690

SCHEMBL1707690

COc1ccc(Nc2nc(Nc3ccc(OCC(N)=O)cc3C)ncc2Cl)c(NS(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.52
ROS1 P08922 3/20 0.52
MAPK3 P27361 2/20 0.48
EGFR P00533 10/20 0.48
MET P08581 2/20 0.47
PTK2 Q05397 1/20 0.47
LRRK2 Q5S007 1/20 0.46

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
SCHEMBL1707116 0.95 ALK (0.52) ALKROS1MAPK3EGFRMET
SCHEMBL1707827 0.92 ALK (0.59) ALKROS1MAPK3EGFRMET
SCHEMBL1707373 0.92 EGFR (0.54) ALKROS1MAPK3EGFRMET
SCHEMBL1706931 0.90 ROS1 (0.55) ALKROS1MAPK3EGFRMET
SCHEMBL1707368 0.88 ALK (0.53) ALKROS1MAPK3EGFRMET
SCHEMBL1707292 0.87 ALK (0.52) ALKROS1MAPK3EGFRMET
SCHEMBL9912364 0.87 ALK (0.51) ALKROS1MAPK3EGFRMET
SCHEMBL9911249 0.86 ROS1 (0.53) ALKROS1MAPK3EGFRMET
SCHEMBL9912344 0.86 ROS1 (0.53) ALKROS1MAPK3EGFRMET
Hydrochloric Acid SCHEMBL1707466 0.85 ROS1 (0.53) ALKROS1MAPK3EGFRMET

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

“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.