SCHEMBL4997973

SCHEMBL4997973

Nc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C=NOCCN1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.75
ERBB2 P04626 16/20 0.75
AURKA O14965 1/20 0.55

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
SCHEMBL1105406 1.00 EGFR (0.75) EGFRERBB2AURKA
SCHEMBL1105336 0.93 EGFR (0.84) EGFRERBB2
SCHEMBL5001924 0.93 EGFR (0.84) EGFRERBB2
SCHEMBL1105326 0.92 EGFR (0.73) EGFRERBB2AURKA
SCHEMBL4997768 0.92 EGFR (0.73) EGFRERBB2AURKA
SCHEMBL5001799 0.87 EGFR (0.74) EGFRERBB2
SCHEMBL1105345 0.87 EGFR (0.74) EGFRERBB2
SCHEMBL5001860 0.86 EGFR (0.77) EGFRERBB2
SCHEMBL1105304 0.86 EGFR (0.77) EGFRERBB2
SCHEMBL1105250 0.86 EGFR (0.84) 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 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 EGFR 1036/4885ERBB2 301/4885AURKA 530/4885

“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.