SCHEMBL5041141

SCHEMBL5041141

Cn1cnc2sc(N)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
BCAT2 O15382 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CB P42338 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
GRM5 P41594 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
SCHEMBL5039882 0.76 BCAT2 (0.35) DYRK1ABCAT2LMNAHPGDALDH1A1
SCHEMBL5036162 0.73 XPO1 (0.34) BCAT2LMNAHPGD
SCHEMBL5039968 0.68 CLK4 (0.60) HPGDALDH1A1DAPK3CSNK1A1LIMK1
SCHEMBL5036336 0.63
SCHEMBL19267535 0.61 CHRNB2 (0.52) DYRK1ALMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL5039854 0.61 PRKCI (0.47) ALDH1A1PIK3CB
SCHEMBL212673 0.60 MAPT (0.61) DYRK1ALMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL6125859 0.60 DYRK1A (0.37) DYRK1AADORA2AADORA1ALDH1A1PIK3CB
SCHEMBL5036526 0.60 DYRK1A (0.40) DYRK1AADORA2AADORA1PIK3CBGRM5
SCHEMBL520854 0.60 DYRK1A (0.60) DYRK1AALDH1A1SMN1; SMN2GRM5

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 DYRK1A 1798/4885ADORA2A 4828/4885ADORA1 4802/4885

“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.