SCHEMBL5894697

SCHEMBL5894697

[O-][n+]1cnc2cnccc2c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
TNIK Q9UKE5 1/20 0.33
CLK1 P49759 2/20 0.33
DYRK1A Q13627 2/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KDM3A Q9Y4C1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL5894666 0.84 KDM4E (0.33) CLK1DYRK1ACSNK1DCSNK1EKDM4E
SCHEMBL2989390 0.69 PRKCZ (0.35) CLK1DYRK1ACSNK1DCSNK1EKDM4E
SCHEMBL2986767 0.69 CYP19A1 (0.33) CLK1DYRK1ACSNK1DCSNK1EKDM4E
SCHEMBL25954944 0.68 LATS1 (0.32) KDM4C
SCHEMBL5894589 0.67
SCHEMBL89126 0.66 ALDH1A1 (0.58) MAP4K4MINK1TNIKKDM4EALDH1A1
SCHEMBL88606 0.66 EGFR (0.58) MAP4K4MINK1TNIKCLK1DYRK1A
SCHEMBL31469070 0.66 ALDH1A1 (0.58) MAP4K4MINK1TNIKKDM4EALDH1A1
SCHEMBL29409356 0.66 EGFR (0.58) MAP4K4MINK1TNIKCLK1DYRK1A
SCHEMBL29551004 0.66 ALDH1A1 (0.58) MAP4K4MINK1TNIKKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 MAP4K4 1079/4885MINK1 2101/4885TNIK 2164/4885

“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.