SCHEMBL4736320

SCHEMBL4736320

CON=Cc1c(N)ncnc1Nc1ccccc1SC

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.57
ERBB2 P04626 13/20 0.57
KHK P50053 1/20 0.44
RET P07949 1/20 0.43
KDR P35968 2/20 0.43

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
SCHEMBL1105370 1.00 EGFR (0.57) EGFRERBB2KHKRETKDR
SCHEMBL1105331 0.85 EGFR (0.60) EGFRERBB2RETKDR
SCHEMBL1095027 0.85 EGFR (0.60) EGFRERBB2RETKDR
SCHEMBL1094629 0.84 KHK (0.46) EGFRERBB2KHK
SCHEMBL1105391 0.82 EGFR (0.59) EGFRERBB2KDR
SCHEMBL1095038 0.82 EGFR (0.59) EGFRERBB2KDR
SCHEMBL1105423 0.81 EGFR (0.74) EGFRERBB2RETKDR
SCHEMBL1095270 0.81 EGFR (0.74) EGFRERBB2RETKDR
SCHEMBL1105361 0.80 EGFR (0.62) EGFRERBB2RETKDR
SCHEMBL4737975 0.80 EGFR (0.62) EGFRERBB2RETKDR

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-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
WO-2008073519-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-19 WO disclosed
WO-2007081630-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 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-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS EGFR 1036/4885ERBB2 301/4885KHK 890/4885

“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.