SCHEMBL5002240

SCHEMBL5002240

CON=Cc1c(N)ncnc1Nc1ccc(OCc2ccccn2)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.79
EGFR P00533 16/20 0.79
ERBB4 Q15303 2/20 0.57
ERBB3 P21860 1/20 0.57
LCK P06239 1/20 0.54
AURKA O14965 1/20 0.53
RPS6KB1 P23443 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL1105260 1.00 ERBB2 (0.79) ERBB2EGFRERBB4ERBB3LCK
SCHEMBL5007701 0.88 EGFR (1.00) ERBB2EGFRAURKA
SCHEMBL1105243 0.88 EGFR (1.00) ERBB2EGFRAURKA
SCHEMBL5520681 0.88 EGFR (0.77) ERBB2EGFRERBB4ERBB3LCK
SCHEMBL5007758 0.87 EGFR (0.75) ERBB2EGFRERBB4ERBB3AURKA
SCHEMBL1105344 0.87 EGFR (0.75) ERBB2EGFRERBB4ERBB3AURKA
SCHEMBL1105293 0.86 EGFR (0.77) ERBB2EGFR
SCHEMBL5001612 0.86 EGFR (0.77) ERBB2EGFR
SCHEMBL1105334 0.84 EGFR (1.00) ERBB2EGFR
SCHEMBL5001615 0.84 EGFR (1.00) ERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS ERBB2 301/4885EGFR 1036/4885ERBB4 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.