SCHEMBL5504663

SCHEMBL5504663

CN(C)c1ccc(N)c2nc(N)sc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 5/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.34
PAK4 O96013 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
PDPK1 O15530 1/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5510822 0.86 SMN1; SMN2 (0.42) SMN1; SMN2CHEK1NEK2LIMK1DYRK1A
SCHEMBL5501692 0.84 TLR8 (0.41) SMN1; SMN2CHEK1NEK2LIMK1DYRK1A
SCHEMBL5502703 0.81 ALDH1A1 (0.40) SMN1; SMN2HTTALDH1A1GAAMAPT
SCHEMBL6876424 0.80 CYP3A4 (0.50) SMN1; SMN2ALDH1A1GAAMAPTCYP3A4
SCHEMBL5506021 0.80 DYRK1A (0.35) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5505676 0.78 SMN1; SMN2 (0.52) SMN1; SMN2HTTALDH1A1GAAKMT2A
SCHEMBL5500618 0.77 SMN1; SMN2 (0.38) SMN1; SMN2HTTCYP3A4PDPK1
SCHEMBL23985953 0.72 SMN1; SMN2 (0.47) SMN1; SMN2HTTALDH1A1MAPTCYP3A4
SCHEMBL5505858 0.71 SMN1; SMN2 (0.42) SMN1; SMN2HTTALDH1A1GAAMAPT
SCHEMBL27547841 0.71 ASH1L (0.44) SMN1; SMN2CHEK1NEK2LIMK1DYRK1A

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-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP claimed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO claimed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US claimed
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP disclosed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO disclosed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 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-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, DSP, KRTCAP2 SMN1; SMN2 4645/4885CHEK1 1251/4885NEK2 902/4885

“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.