SCHEMBL1094886

SCHEMBL1094886

Nc1ncnc(N)c1C=NO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.42
KDR P35968 3/20 0.41
MET P08581 1/20 0.34
EGFR P00533 4/20 0.33
ERBB2 P04626 4/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AHCY P23526 1/20 0.32
PI4KA P42356 4/20 0.31
PI4K2B Q8TCG2 4/20 0.31
PI4K2A Q9BTU6 4/20 0.31
PI4KB Q9UBF8 4/20 0.31
XDH P47989 2/20 0.30
LRRK2 Q5S007 2/20 0.30
LMNA P02545 1/20 0.30
DRD3 P35462 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1094884 1.00 RET (0.42) RETKDRMETEGFRERBB2
SCHEMBL890570 0.71 MAPT (0.36) KDM4EL3MBTL1LMNAALOX15HTT
SCHEMBL890571 0.71 MAPT (0.36) KDM4EL3MBTL1LMNAALOX15HTT
SCHEMBL16583459 0.71 HPGD (0.39) RETKDRMETKDM4EL3MBTL1
SCHEMBL16583458 0.71 HPGD (0.39) RETKDRMETKDM4EL3MBTL1
SCHEMBL1105337 0.71 GALR3 (0.50) EGFRLMNA
SCHEMBL12891981 0.67 PI4KA (0.34) RETKDRMETL3MBTL1PI4KA
SCHEMBL17073884 0.64 EGFR (0.36) RETKDREGFRERBB2
SCHEMBL8386307 0.64
SCHEMBL20544102 0.62 NPC1 (0.39) KDM4EL3MBTL1HTT

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 13 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-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
WO-2009055299-A1 SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 WO disclosed
US-20090111810-A1 SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 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
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 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 (5 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 RET 536/4885KDR 797/4885MET 815/4885
US-20090111810-A1 SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS MAP3K5, FLT3, MAP3K19 RET 58/4885KDR 460/4885MET 550/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 RET 536/4885KDR 797/4885MET 815/4885
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK RET 577/4885KDR 1975/4885MET 1781/4885
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS RET 993/4885KDR 1277/4885MET 1922/4885

“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.