SCHEMBL5001797

SCHEMBL5001797

CON=Cc1c(N)ncnc1Nc1ccc(N2CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.52
ERBB2 P04626 12/20 0.52
FLT3 P36888 4/20 0.52
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1105419 1.00 EGFR (0.52) EGFRERBB2FLT3GAAKDM4E
SCHEMBL1105373 0.88 FLT3 (0.62) EGFRERBB2FLT3
SCHEMBL4737722 0.88 FLT3 (0.62) EGFRERBB2FLT3
SCHEMBL1096176 0.86 ADK (0.47) FLT3GAAKDM4EMEN1KMT2A
SCHEMBL1105278 0.83 EGFR (0.66) EGFRERBB2FLT3
SCHEMBL5005537 0.83 EGFR (0.66) EGFRERBB2FLT3
SCHEMBL1095355 0.76 EGFR (0.71) EGFRERBB2
SCHEMBL1105378 0.76 EGFR (0.71) EGFRERBB2
SCHEMBL1095766 0.74 EGFR (0.65) EGFRERBB2
SCHEMBL1096859 0.74 EGFR (0.75) EGFRERBB2FLT3

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
WO-2007081630-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO claimed
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-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 301/4885FLT3 140/4885

“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.