SCHEMBL1105328

SCHEMBL1105328

CO/N=C/c1c(NOC)ncnc1Nc1ccc(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.52
KDR P35968 10/20 0.52
RET P07949 2/20 0.52
KIF5B P33176 2/20 0.52
ERBB2 P04626 3/20 0.49
DYRK1A Q13627 3/20 0.45
DYRK1B Q9Y463 2/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CLK1 P49759 2/20 0.45
FGFR1 P11362 4/20 0.42
FLT1 P17948 4/20 0.42
FLT4 P35916 3/20 0.42
BMPR1B O00238 1/20 0.40
PLK4 O00444 1/20 0.40
CIT O14578 1/20 0.40
GAK O14976 1/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL5002387 1.00 EGFR (0.52) EGFRKDRRETKIF5BERBB2
SCHEMBL1105322 0.87 EGFR (0.66) EGFRKDRRETKIF5BERBB2
SCHEMBL1105309 0.87 EGFR (0.66) EGFRKDRRETKIF5BERBB2
SCHEMBL5001811 0.87 EGFR (0.66) EGFRKDRRETKIF5BERBB2
SCHEMBL4736647 0.75 EGFR (0.63) EGFRKDRERBB2FGFR1FLT1
SCHEMBL1105357 0.75 EGFR (0.63) EGFRKDRERBB2FGFR1FLT1
SCHEMBL5001693 0.73 EGFR (0.70) EGFRKDRERBB2DYRK1ADYRK1B
SCHEMBL1105306 0.73 EGFR (0.70) EGFRKDRERBB2DYRK1ADYRK1B
SCHEMBL1105366 0.73 EGFR (0.70) EGFRKDRERBB2DYRK1ADYRK1B
SCHEMBL1095880 0.72 KDR (0.52) EGFRKDRRETKIF5BERBB2

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 EGFR 1201/4885KDR 797/4885RET 536/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885KDR 797/4885RET 536/4885

“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.