SCHEMBL5002106

SCHEMBL5002106

Nc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C=NO

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.82
ERBB2 P04626 15/20 0.82
ERBB4 Q15303 2/20 0.61
ERBB3 P21860 1/20 0.61
GAK O14976 1/20 0.60

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
SCHEMBL5002100 1.00 EGFR (0.82) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL1105295 1.00 EGFR (0.82) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL5001859 0.93 EGFR (0.81) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL1105317 0.93 EGFR (0.81) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL5001861 0.93 EGFR (0.81) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL5524423 0.91 EGFR (0.80) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL1105240 0.90 EGFR (1.00) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL12694678 0.90 EGFR (1.00) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL1095818 0.90 EGFR (0.81) EGFRERBB2
SCHEMBL1095820 0.90 EGFR (0.81) EGFRERBB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-8278446-B2 reacting 4-amino-6-chloro-pyrimidine-5-carbaldehyde with 4-benzyloxy-3-chloro-phenylamine in an aqueous solvent and a catalytic amount of hydrochloric acid, to providw 4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carbaldehyde, then oximination with (2-morpholin-4-yl-ethyl)-hydroxylamine JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-02 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 US 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 (2 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885ERBB2 124/4885ERBB4 410/4885
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS EGFR 1036/4885ERBB2 301/4885ERBB4 206/4885

“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.