SCHEMBL4953169

SCHEMBL4953169

Nc1ccc2cnn(N)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
CSNK1A1 P48729 1/20 0.42
GSK3A P49840 1/20 0.42
LIMK1 P53667 1/20 0.42
IKBKE Q14164 1/20 0.42
MAPK14 Q16539 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
F2 P00734 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL4954126 0.79 CHEK1 (0.46) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL427409 0.78 CHEK1 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4949473 0.78 HTR2A (0.57) MEN1KMT2AHTR1AADRA2AMAPT
SCHEMBL3656364 0.78 KMO (0.51) HTR1AADRA2AMAPTIRAK4TDP1
SCHEMBL17454422 0.78 KMO (0.51) LMNAKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL27159441 0.78 KMO (0.51) MEN1KMT2AHTTKDM4EMAPT
SCHEMBL30431594 0.78 CHEK1 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
Hydrochloric Acid SCHEMBL2481630 0.76 MPO (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4955650 0.74 CHEK1 (0.34) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL15910832 0.73 CHEK1 (0.38) CHEK1AURKADAPK3CSNK1A1GSK3A

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 CHEK1 883/4885AURKA 1385/4885DAPK3 1043/4885

“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.