SCHEMBL1075871

SCHEMBL1075871

N#Cc1nn(-c2ccccn2)c(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
FLT3 P36888 4/20 0.46
MAP4K4 O95819 2/20 0.46
PIM1 P11309 2/20 0.46
PRKACA P17612 2/20 0.46
CLK2 P49760 2/20 0.46
CDK5 Q00535 2/20 0.46
MAP4K2 Q12851 2/20 0.46
ROCK1 Q13464 2/20 0.46
DYRK1A Q13627 2/20 0.46
AURKB Q96GD4 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
PLK4 O00444 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
INSR P06213 1/20 0.46
ROS1 P08922 1/20 0.46
PHKG2 P15735 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AKT1 P31749 1/20 0.46

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
SCHEMBL1030407 0.86 MAPT (0.48) MAPTFLT3MAP4K4PIM1PRKACA
SCHEMBL698892 0.77 BCAT1 (0.53) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL2743094 0.76 MAPT (0.58) MAPTFLT3MAP4K4PIM1PRKACA
SCHEMBL692822 0.76 MAPT (0.50) MAPTFLT3MAP4K4PIM1PRKACA
SCHEMBL9383681 0.76 MAPT (0.66) MAPTFLT3MAP4K4PIM1PRKACA
SCHEMBL8914681 0.74 PLAUR (0.51) MAPTFLT3MAP4K4PIM1PRKACA
SCHEMBL2743093 0.73 MAPT (0.45) MAPTFLT3MAP4K4PIM1PRKACA
SCHEMBL6343960 0.73 MAPT (0.56) MAPTFLT3MAP4K4PIM1PRKACA
SCHEMBL692814 0.72 MAPT (0.54) MAPTFLT3MAP4K4PIM1PRKACA
SCHEMBL824888 0.72 PLAUR (0.52) MAPTPLAURFFAR4RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP claimed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US claimed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO claimed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 US claimed
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP disclosed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 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-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX MAPT 354/4885FLT3 2725/4885MAP4K4 393/4885

“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.