SCHEMBL1094554

SCHEMBL1094554

Nc1cc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)ncn1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.81
ERBB2 P04626 15/20 0.81
ERBB3 P21860 1/20 0.62
ERBB4 Q15303 1/20 0.62
GAK O14976 1/20 0.61

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
SCHEMBL1097212 0.91 EGFR (0.68) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL691455 0.91 EGFR (0.78) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL1093852 0.88 EGFR (0.63) EGFRERBB2
SCHEMBL1095000 0.86 EGFR (0.78) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL1096229 0.86 EGFR (0.62) EGFRERBB2GAK
SCHEMBL2748379 0.81 EGFR (0.69) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL233913 0.81 EGFR (0.77) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL690989 0.80 EGFR (0.65) EGFRERBB2ERBB4
SCHEMBL691623 0.80 EGFR (0.82) EGFRERBB2ERBB4
SCHEMBL5320281 0.80 EGFR (0.80) EGFRERBB2ERBB3ERBB4GAK

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 4 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-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-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 124/4885ERBB3 348/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885ERBB2 124/4885ERBB3 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.