SCHEMBL4737722

SCHEMBL4737722

CON=Cc1c(N)ncnc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.62
EGFR P00533 13/20 0.56
ERBB2 P04626 11/20 0.56
TTBK1 Q5TCY1 1/20 0.51
TTBK2 Q6IQ55 1/20 0.51
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
AHR P35869 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1105373 1.00 FLT3 (0.62) FLT3EGFRERBB2TTBK1TTBK2
SCHEMBL5001797 0.88 EGFR (0.52) FLT3EGFRERBB2
SCHEMBL1105419 0.88 EGFR (0.52) FLT3EGFRERBB2
SCHEMBL1105278 0.86 EGFR (0.66) FLT3EGFRERBB2
SCHEMBL5005537 0.86 EGFR (0.66) FLT3EGFRERBB2
SCHEMBL1095587 0.84 TTBK1 (0.57) FLT3EGFRTTBK1TTBK2MAPT
SCHEMBL1105378 0.79 EGFR (0.71) EGFRERBB2
SCHEMBL4733568 0.79 EGFR (0.71) FLT3EGFRERBB2
SCHEMBL1095766 0.79 EGFR (0.65) EGFRERBB2TTBK1TTBK2
SCHEMBL1096859 0.79 EGFR (0.75) FLT3EGFRERBB2

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 FLT3 140/4885EGFR 1036/4885ERBB2 301/4885

“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.