SCHEMBL14595168

SCHEMBL14595168

COc1cccc(Nc2ncnc3ccc(C)cc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.74
KDR P35968 2/20 0.74
CLK4 Q9HAZ1 2/20 0.74
DYRK3 O43781 1/20 0.74
MAP4K4 O95819 1/20 0.74
PDGFRA P16234 1/20 0.74
LTK P29376 1/20 0.74
GRK5 P34947 1/20 0.74
MAPK8 P45983 1/20 0.74
CDK8 P49336 1/20 0.74
CDK7 P50613 1/20 0.74
IRAK1 P51617 1/20 0.74
NEK4 P51957 1/20 0.74
LIMK1 P53667 1/20 0.74
ACVR1 Q04771 1/20 0.74
TNK2 Q07912 1/20 0.74
DYRK1A Q13627 1/20 0.74
MAPK14 Q16539 1/20 0.74
LRRK2 Q5S007 1/20 0.74
AURKB Q96GD4 1/20 0.74

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
SCHEMBL2101550 0.90 EGFR (0.76) EGFRKDRCLK4DYRK3MAP4K4
SCHEMBL18292473 0.87 EGFR (0.84) EGFRKDRCLK4DYRK3MAP4K4
SCHEMBL8871863 0.86 EGFR (0.82) EGFRNCOA1NCOA3HTTLMNA
SCHEMBL28475137 0.86 EGFR (0.73) EGFRKDRCLK4DYRK3MAP4K4
SCHEMBL15503743 0.85 NCOA1 (1.00) EGFRKDRNCOA1NCOA3HTT
SCHEMBL9017043 0.85 EGFR (1.00) EGFRKDRCLK4DYRK3MAP4K4
SCHEMBL6664796 0.83 HTT (0.67) EGFRKDRCLK4DYRK3MAP4K4
SCHEMBL5474772 0.83 KDR (1.00) EGFRKDRMAPK14ABCG2LMNA
SCHEMBL2101381 0.82 HTT (1.00) EGFRKDRCLK4MAP4K4LTK
SCHEMBL8871268 0.82 EGFR (0.76) EGFRKDRCLK4DYRK3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS EGFR 255/4885KDR 1189/4885CLK4 2067/4885

“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.