SCHEMBL5039596

SCHEMBL5039596

Cn1c(N)nc2oc(O)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.38
DAPK3 O43293 1/20 0.38
CSNK1A1 P48729 1/20 0.38
LIMK1 P53667 1/20 0.38
TNK2 Q07912 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
NTRK1 P04629 1/20 0.37
LTK P29376 1/20 0.37
TYRO3 Q06418 1/20 0.37
NTRK2 Q16620 1/20 0.37

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
SCHEMBL5039847 0.81 CLK4 (0.39) CLK4DAPK3CSNK1A1LIMK1TNK2
SCHEMBL5036677 0.70
SCHEMBL5041632 0.65
SCHEMBL5046342 0.65 DYRK1A (0.33)
SCHEMBL5041894 0.65 CLK4 (0.43) CLK4DAPK3CSNK1A1LIMK1TNK2
SCHEMBL5039241 0.63 CLK4 (0.61) CLK4DAPK3CSNK1A1LIMK1TNK2
SCHEMBL5039678 0.60 CLK4 (0.41) CLK4DAPK3CSNK1A1LIMK1TNK2
SCHEMBL5039566 0.60 PIK3CG (0.41)
SCHEMBL4426155 0.60 GPR35 (0.30)
SCHEMBL21555491 0.59 TLR8 (0.59) CLK4NTRK1LTKTYRO3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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 (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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B CLK4 984/4885DAPK3 1041/4885CSNK1A1 820/4885

“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.