SCHEMBL5039650

SCHEMBL5039650

Cn1c(O)nc2c1cc(N)n2C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
S100B P04271 1/20 0.31
GPR35 Q9HC97 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DAPK3 O43293 1/20 0.30
CSNK1A1 P48729 1/20 0.30
LIMK1 P53667 1/20 0.30
TNK2 Q07912 1/20 0.30
ROCK1 Q13464 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL5039678 0.79 CLK4 (0.41) ATAD2PDE3BPDE3AS100BHPGD
SCHEMBL5044668 0.67 ATAD2 (0.46) ATAD2S100BHPGDHTTHSD17B10
SCHEMBL5035871 0.66 ATAD2 (0.38) ATAD2S100B
SCHEMBL5036677 0.65
SCHEMBL5039747 0.65
SCHEMBL5039751 0.65 CLK4 (0.45) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL5036160 0.65 DAPK3 (0.32) HTTDAPK3CSNK1A1LIMK1TNK2
SCHEMBL19233620 0.65 KDM4E (0.52) HPGDHTTHSD17B10DAPK3CSNK1A1
SCHEMBL24879507 0.61 SCN5A (0.40) HTTHSD17B10
SCHEMBL5173991 0.61 ATAD2 (0.38) ATAD2S100B

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 ATAD2 2865/4885PDE3B 4553/4885PDE3A 4462/4885

“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.