SCHEMBL4997768

SCHEMBL4997768

Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C=NOCCN1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.73
▸ ERBB2 P04626 18/20 0.73
▸ AURKA O14965 1/20 0.65

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
SCHEMBL1105326 1.00 EGFR (0.73) EGFRERBB2AURKA
SCHEMBL30362981 0.92 EGFR (0.71) EGFRERBB2AURKA
SCHEMBL31466883 0.92 EGFR (0.71) EGFRERBB2AURKA
SCHEMBL4736323 0.92 EGFR (0.71) EGFRERBB2AURKA
SCHEMBL1105316 0.92 EGFR (0.71) EGFRERBB2AURKA
SCHEMBL4997973 0.92 EGFR (0.75) EGFRERBB2AURKA
SCHEMBL1105406 0.92 EGFR (0.75) EGFRERBB2AURKA
Hydrochloric Acid SCHEMBL5007769 0.92 EGFR (0.70) EGFRERBB2AURKA
Hydrochloric Acid SCHEMBL5007744 0.92 EGFR (0.70) EGFRERBB2AURKA
Hydrochloric Acid SCHEMBL29409572 0.92 EGFR (0.70) EGFRERBB2AURKA

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.

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