SCHEMBL5526672

SCHEMBL5526672

Nc1ncnc(Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
EGFR P00533 8/20 0.39
ERBB2 P04626 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR4 P51679 1/20 0.36
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
CASP6 P55212 1/20 0.35
PTPN11 Q06124 1/20 0.35
TTBK1 Q5TCY1 2/20 0.33
TTBK2 Q6IQ55 2/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL4784153 0.87 EGFR (0.54) EGFRERBB2
SCHEMBL1105349 0.87 EGFR (0.54) EGFRERBB2
SCHEMBL1096423 0.79 EGFR (0.54) ALDH1A1KDM4EEGFRERBB2MEN1
SCHEMBL4734673 0.75 EGFR (0.48) ALDH1A1KDM4ELMNAEGFRERBB2
SCHEMBL1095160 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAPKMEGFR
SCHEMBL1095176 0.72 EGFR (0.50) EGFRERBB2TTBK1TTBK2
SCHEMBL1094892 0.72 EGFR (0.47) LMNAEGFRERBB2MEN1KMT2A
SCHEMBL1094629 0.71 KHK (0.46) ALDH1A1EGFRERBB2SMN1; SMN2
SCHEMBL1095145 0.70 EGFR (0.57) ALDH1A1KDM4ELMNAEGFRERBB2
SCHEMBL4734704 0.69 EGFR (0.58) EGFRERBB2TTBK1TTBK2AURKB

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-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US claimed
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-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 ALDH1A1 2449/4885KDM4E 1680/4885LMNA 3862/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 ALDH1A1 2449/4885KDM4E 1680/4885LMNA 3862/4885

“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.