SCHEMBL1105400

SCHEMBL1105400

CO/N=C/c1c(N)ncnc1Nc1ccc(C(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.60
ERBB2 P04626 12/20 0.60
KDR P35968 4/20 0.50
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
FLT3 P36888 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
SCHEMBL1096503 1.00 EGFR (0.60) EGFRERBB2KDRTTBK1TTBK2
SCHEMBL1105388 0.91 EGFR (0.60) EGFRERBB2KDR
SCHEMBL1096864 0.91 EGFR (0.60) EGFRERBB2KDR
SCHEMBL1095957 0.91 EGFR (0.60) EGFRERBB2KDRFLT3
SCHEMBL1095955 0.91 EGFR (0.60) EGFRERBB2KDRFLT3
SCHEMBL1105375 0.88 KDR (0.60) EGFRERBB2KDRFLT3
SCHEMBL4997605 0.88 KDR (0.60) EGFRERBB2KDRFLT3
SCHEMBL1105390 0.88 EGFR (0.60) EGFRERBB2KDR
SCHEMBL5322279 0.88 EGFR (0.60) EGFRERBB2KDR
SCHEMBL5319596 0.88 EGFR (0.57) EGFRERBB2KDR

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-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

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 EGFR 1201/4885ERBB2 124/4885KDR 797/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885ERBB2 124/4885KDR 797/4885

“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.