SCHEMBL1096302

SCHEMBL1096302

Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1/C=N/OCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.51
ERBB2 P04626 6/20 0.48
EGFR P00533 5/20 0.48
KDR P35968 3/20 0.47
TNK2 Q07912 1/20 0.44
MET P08581 1/20 0.44
LCK P06239 1/20 0.43
TEK Q02763 1/20 0.43
MAP2K1 Q02750 3/20 0.42
RAF1 P04049 2/20 0.42
SYK P43405 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
SRC P12931 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
SCHEMBL1096308 1.00 FLT3 (0.51) FLT3ERBB2EGFRKDRTNK2
SCHEMBL1105319 0.85 FLT3 (0.56) FLT3ERBB2EGFRKDRTNK2
SCHEMBL1094553 0.85 FLT3 (0.56) FLT3ERBB2EGFRKDRTNK2
SCHEMBL31466883 0.81 EGFR (0.71) ERBB2EGFRAURKA
SCHEMBL30362981 0.81 EGFR (0.71) ERBB2EGFRAURKA
SCHEMBL4736323 0.81 EGFR (0.71) ERBB2EGFRAURKA
SCHEMBL1105316 0.81 EGFR (0.71) ERBB2EGFRAURKA
SCHEMBL14162283 0.81 ERBB2 (0.63) FLT3ERBB2EGFRKDRMET
SCHEMBL1095083 0.81 EGFR (0.64) FLT3ERBB2EGFRKDRTNK2
SCHEMBL1095081 0.81 EGFR (0.64) FLT3ERBB2EGFRKDRTNK2

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 15 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-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 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-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-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
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US 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 101/4885ERBB2 124/4885EGFR 1201/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 FLT3 101/4885ERBB2 124/4885EGFR 1201/4885
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS FLT3 140/4885ERBB2 301/4885EGFR 1036/4885

“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.