SCHEMBL1708502

SCHEMBL1708502

COc1ccc(OC)c(Nc2ncc(F)c(Nc3ccccc3NS(C)(=O)=O)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 3/20 0.65
▸ PTK2 Q05397 2/20 0.64
▸ LRRK2 Q5S007 2/20 0.62
▸ GSK3A P49840 1/20 0.62
▸ MAPK15 Q8TD08 1/20 0.62
▸ CAMKK2 Q96RR4 1/20 0.62
▸ EGFR P00533 10/20 0.54
▸ MET P08581 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ ZAP70 P43403 1/20 0.50
▸ ROS1 P08922 1/20 0.50
▸ ALK Q9UM73 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
SCHEMBL1707715 0.94 PTK2 (0.58) GLO1PTK2LRRK2GSK3AMAPK15
SCHEMBL1707703 0.92 PTK2 (0.73) GLO1PTK2LRRK2GSK3AMAPK15
SCHEMBL1707208 0.90 GLO1 (0.65) GLO1PTK2LRRK2GSK3AMAPK15
SCHEMBL1707467 0.90 GLO1 (0.58) GLO1PTK2LRRK2GSK3AMAPK15
SCHEMBL1706896 0.90 LRRK2 (0.68) GLO1PTK2LRRK2GSK3AMAPK15
SCHEMBL9911245 0.90 GSK3A (0.53) GLO1PTK2LRRK2GSK3AMAPK15
SCHEMBL1706914 0.88 PTK2 (0.58) GLO1PTK2LRRK2GSK3AMAPK15
SCHEMBL9911236 0.88 EGFR (0.64) PTK2LRRK2EGFRMETROS1
SCHEMBL1707698 0.88 PTK2 (0.64) GLO1PTK2LRRK2GSK3AEGFR
Hydrochloric Acid SCHEMBL1707842 0.87 EGFR (0.63) PTK2LRRK2EGFRMETROS1

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 GLO1 4299/4885PTK2 1584/4885LRRK2 3072/4885

“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.

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