SCHEMBL14719016

SCHEMBL14719016

COc1cc(N2CCN(C)CC2)c(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.72
MKNK1 Q9BUB5 2/20 0.62
MKNK2 Q9HBH9 2/20 0.62
IGF1R P08069 3/20 0.59
CDK2 P24941 2/20 0.59
DYRK1B Q9Y463 2/20 0.59
DYRK3 O43781 1/20 0.59
CLK1 P49759 1/20 0.59
CLK2 P49760 1/20 0.59
CDK5 Q00535 1/20 0.59
DYRK1A Q13627 1/20 0.59
CDK5R1 Q15078 1/20 0.59
DYRK2 Q92630 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
DYRK4 Q9NR20 1/20 0.59
KCNH2 Q12809 1/20 0.52
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50

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
SCHEMBL31367926 1.00 EGFR (0.72) EGFRMKNK1MKNK2IGF1RCDK2
SCHEMBL30393974 0.93 EGFR (0.75) EGFRMKNK1MKNK2IGF1RCDK2
SCHEMBL29974663 0.93 EGFR (0.75) EGFRMKNK1MKNK2IGF1RCDK2
SCHEMBL14663468 0.93 EGFR (0.75) EGFRMKNK1MKNK2IGF1RCDK2
SCHEMBL14719569 0.87 MKNK1 (0.61) EGFRMKNK1MKNK2KCNH2
SCHEMBL29525375 0.87 MKNK2 (0.74) EGFRMKNK1MKNK2KCNH2HDAC1
SCHEMBL17822329 0.87 MKNK2 (0.74) EGFRMKNK1MKNK2KCNH2HDAC1
SCHEMBL19337189 0.87 EGFR (0.72) EGFRMKNK1MKNK2IGF1RCDK2
SCHEMBL30956832 0.86 EGFR (0.58) EGFRMKNK1MKNK2IGF1RKCNH2
SCHEMBL29232101 0.86 EGFR (0.58) EGFRMKNK1MKNK2IGF1RKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946235-B2 2-(2,4,5-substituted-anilino) pyrimidine compounds ASTRAZENECA AB (SE) 2015-02-03 US disclosed
US-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2013-02-28 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 (1 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-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885MKNK1 2749/4885MKNK2 2846/4885

“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.