SCHEMBL4955583

SCHEMBL4955583

Nc1cc2cnn(NCCO)c2cc1N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH4 Q9H3N8 1/20 0.31
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
CSNK1A1 P48729 1/20 0.30
GSK3A P49840 1/20 0.30
LIMK1 P53667 1/20 0.30
IKBKE Q14164 1/20 0.30
MAPK14 Q16539 1/20 0.30
TAOK1 Q7L7X3 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
SCHEMBL4951896 0.89 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL4951532 0.89 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL4959779 0.81 PDE10A (0.35) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4954399 0.81 KDM4E (0.31)
SCHEMBL4949530 0.81 CLK4 (0.38) CYP2D6CYP2C19CHEK1AURKADAPK3
SCHEMBL4951570 0.75 HTR2A (0.49) CLK4
SCHEMBL4949318 0.75 CHEK1 (0.33) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4913528 0.75 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL4956605 0.75 GPR68 (0.37)
SCHEMBL4956885 0.73 KDM4E (0.33) CYP2D6CYP2C19

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 CYP2D6 703/4885CYP2C19 1597/4885HRH4 1247/4885

“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.