SCHEMBL4949530

SCHEMBL4949530

Nc1ccc2cnn(NCCO)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38
LIMK1 P53667 1/20 0.38
IKBKE Q14164 1/20 0.38
MAPK14 Q16539 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.37
PIM3 Q86V86 1/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4952956 0.84 CHEK1 (0.40) CLK4CHEK1AURKADAPK3CSNK1A1
SCHEMBL4951570 0.83 HTR2A (0.49) CLK4IRAK4HTR2AHTR2CHTR2B
SCHEMBL4955583 0.81 CYP2D6 (0.35) CLK4CHEK1AURKADAPK3CSNK1A1
SCHEMBL4951532 0.77 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL4951644 0.77 CHEK1 (0.41) CLK4CHEK1AURKADAPK3CSNK1A1
SCHEMBL4954399 0.76 KDM4E (0.31) KDM4EMAPT
SCHEMBL14320854 0.74 HTR2A (0.54) CLK4CHEK1AURKADAPK3CSNK1A1
SCHEMBL30833639 0.74 HTR2A (0.54) CLK4CHEK1AURKADAPK3CSNK1A1
SCHEMBL4951566 0.73 CHEK1 (0.39) CLK4CHEK1AURKADAPK3CSNK1A1
SCHEMBL4952856 0.73 KDM4E (0.35) HTTKDM4ECYP2D6CYP2C19ADRA2A

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
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C CLK4 2746/4885CHEK1 883/4885AURKA 1385/4885

“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.