SCHEMBL4667357

SCHEMBL4667357

CN(c1ccc(N)cc1)c1cc(N)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 1/20 0.43
EGFR P00533 1/20 0.39
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PSMD14 O00487 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CASP1 P29466 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL25453064 0.88 GRIA1 (0.37) ALDH1A1MAPK1CYP3A4TDP1TP53
SCHEMBL25453062 0.88 KCNH2 (0.47) ALOX15EGFRTSHRMAPTKCNH2
SCHEMBL25453079 0.87 EGFR (0.48) ALDH1A1MAPK1CYP3A4TDP1EGFR
SCHEMBL3658312 0.78 ADORA2A (0.44) ALDH1A1MAPK1CYP3A4TDP1TP53
SCHEMBL5206210 0.78 CYP2D6 (0.44) ALDH1A1MAPK1CYP3A4TDP1TP53
SCHEMBL25453063 0.77 EGFR (0.46) ALDH1A1EGFRKDR
SCHEMBL30502771 0.77 EGFR (0.46) ALDH1A1EGFRKDR
SCHEMBL25175471 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1EGFRTSHR
SCHEMBL4665680 0.74 NOS3 (0.44) ALDH1A1MAPK1CYP3A4TDP1TP53
SCHEMBL4731660 0.74 KCNH2 (0.40) ALDH1A1MAPK1CYP3A4TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982749-B1 Novel hair colouring compositions for use in oxidative hair dyeing PROCTER & GAMBLE (US) 2013-04-17 EP claimed
EP-1982749-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-10-22 EP claimed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
EP-1855644-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING The Procter and Gamble Company (US) 2007-11-21 EP claimed
WO-2006099115-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING THE PROCTER & GAMBLE COMPANY (US) 2006-09-21 WO claimed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 US claimed
EP-1982749-B1 Novel hair colouring compositions for use in oxidative hair dyeing PROCTER & GAMBLE (US) 2013-04-17 EP disclosed
EP-1982749-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-10-22 EP disclosed
EP-1982748-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter & Gamble (US) 2008-10-22 EP disclosed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1855644-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING The Procter and Gamble Company (US) 2007-11-21 EP disclosed
WO-2006099115-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING THE PROCTER & GAMBLE COMPANY (US) 2006-09-21 WO disclosed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 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-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing COXFA4L2, TYR, GPX4 ALDH1A1 89/4885MAPK1 1723/4885CYP3A4 310/4885

“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.