SCHEMBL1105274

SCHEMBL1105274

CO/N=C/c1c(N)ncnc1Nc1ccc(Oc2ccc(C)nc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.56
EGFR P00533 16/20 0.56
ERBB3 P21860 1/20 0.56
ERBB4 Q15303 1/20 0.56
KDR P35968 1/20 0.51
KCNH2 Q12809 2/20 0.48
FECH P22830 1/20 0.46
CDK8 P49336 1/20 0.46
MAP2K5 Q13163 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
MKNK2 Q9HBH9 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
SCHEMBL5002315 1.00 ERBB2 (0.56) ERBB2EGFRERBB3ERBB4KDR
SCHEMBL1105245 0.89 EGFR (0.56) ERBB2EGFRERBB3ERBB4KDR
SCHEMBL5005180 0.89 EGFR (0.56) ERBB2EGFRERBB3ERBB4KDR
SCHEMBL5528620 0.88 ERBB2 (0.60) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL1105253 0.79 EGFR (0.65) ERBB2EGFRERBB3ERBB4KDR
SCHEMBL5002107 0.79 EGFR (0.65) ERBB2EGFRERBB3ERBB4KDR
SCHEMBL1105368 0.78 EGFR (0.67) ERBB2EGFRKDR
SCHEMBL4735927 0.78 EGFR (0.67) ERBB2EGFRKDR
SCHEMBL1105246 0.78 EGFR (0.64) ERBB2EGFRKDR
SCHEMBL5005266 0.78 EGFR (0.64) ERBB2EGFRKDR

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 9 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-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-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 (2 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 ERBB2 124/4885EGFR 1201/4885ERBB3 348/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 ERBB2 124/4885EGFR 1201/4885ERBB3 348/4885

“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.