SCHEMBL1094553

SCHEMBL1094553

Nc1ncnc(Nc2ccc(NC(=O)c3ccccc3)cc2)c1C=NOCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.56
EGFR P00533 10/20 0.54
KDR P35968 8/20 0.54
AURKA O14965 4/20 0.54
AURKB Q96GD4 3/20 0.54
MET P08581 2/20 0.54
ROCK2 O75116 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
RET P07949 1/20 0.54
MAPT P10636 1/20 0.54
SRC P12931 1/20 0.54
PDGFRA P16234 1/20 0.54
LTK P29376 1/20 0.54
TTK P33981 1/20 0.54
MAP2K2 P36507 1/20 0.54
MAP2K1 Q02750 1/20 0.54
BTK Q06187 1/20 0.54
TYRO3 Q06418 1/20 0.54

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
SCHEMBL1105319 1.00 FLT3 (0.56) FLT3EGFRKDRAURKAAURKB
SCHEMBL1096302 0.85 FLT3 (0.51) FLT3EGFRKDRAURKAAURKB
SCHEMBL1096308 0.85 FLT3 (0.51) FLT3EGFRKDRAURKAAURKB
SCHEMBL1105414 0.80 EGFR (0.57) FLT3EGFRKDRAURKAAURKB
SCHEMBL5001833 0.80 EGFR (0.57) FLT3EGFRKDRAURKAAURKB
SCHEMBL4998175 0.78 AURKB (0.57) EGFRAURKAAURKB
SCHEMBL1105415 0.78 AURKB (0.57) EGFRAURKAAURKB
SCHEMBL1105316 0.78 EGFR (0.71) EGFRAURKAERBB2
SCHEMBL30362981 0.78 EGFR (0.71) EGFRAURKAERBB2
SCHEMBL14162283 0.78 ERBB2 (0.63) FLT3EGFRKDRAURKAMET

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 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
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 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 (3 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 FLT3 101/4885EGFR 1201/4885KDR 797/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 FLT3 101/4885EGFR 1201/4885KDR 797/4885
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS FLT3 140/4885EGFR 1036/4885KDR 1277/4885

“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.