SCHEMBL1707338

SCHEMBL1707338

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 4/20 0.56
ROS1 P08922 5/20 0.52
ALK Q9UM73 5/20 0.52
EGFR P00533 11/20 0.51
MET P08581 1/20 0.50
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL1706931 0.93 ROS1 (0.55) MAPK3ROS1ALKEGFRMET
SCHEMBL1707144 0.91 MAPK3 (0.62) MAPK3ROS1ALKEGFRMET
SCHEMBL9912344 0.91 ROS1 (0.53) MAPK3ROS1ALKEGFRMET
SCHEMBL1707303 0.90 MAPK3 (0.56) MAPK3ROS1ALKEGFRMET
Hydrochloric Acid SCHEMBL1707466 0.90 ROS1 (0.53) MAPK3ROS1ALKEGFRMET
SCHEMBL9912361 0.89 ROS1 (0.55) MAPK3ROS1ALKEGFRMET
SCHEMBL1706876 0.89 ROS1 (0.52) MAPK3ROS1ALKEGFRMET
SCHEMBL9912357 0.89 ROS1 (0.59) MAPK3ROS1ALKEGFRMET
SCHEMBL9911249 0.89 ROS1 (0.53) MAPK3ROS1ALKEGFRMET
Hydrochloric Acid SCHEMBL1707360 0.89 ROS1 (0.55) MAPK3ROS1ALKEGFRMET

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 978/4885ROS1 1188/4885ALK 2709/4885

“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.