SCHEMBL6739435

SCHEMBL6739435

CN(Cc1cc(N)ccc1N)c1cccc(N)c1N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
ACHE P22303 1/20 0.36
CD44 P16070 1/20 0.33
CHEK1 O14757 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
SLC6A4 P31645 4/20 0.32
HTR2A P28223 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
DHFR P00374 1/20 0.30
CYP3A4 P08684 1/20 0.30
CASP1 P29466 1/20 0.30
RECQL P46063 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
SCHEMBL6741777 0.87 PRKCI (0.39) PRKCIACHECHEK1NEK2LIMK1
SCHEMBL6743463 0.80 PRKCI (0.41) PRKCIACHECHEK1NEK2LIMK1
SCHEMBL6735671 0.77 PRKCI (0.39) PRKCIACHESLC6A4HTR2ADHFR
SCHEMBL6743251 0.75 PRKCI (0.36) PRKCIACHECHEK1NEK2LIMK1
SCHEMBL6743260 0.75 PRKCI (0.36) PRKCIACHECHEK1NEK2LIMK1
SCHEMBL6741221 0.74 ALDH1A1 (0.45) PRKCIACHESLC6A4HTR2ADHFR
SCHEMBL1708813 0.73 SLC6A4 (0.50) PRKCIACHESLC6A4HTR2ASLC6A2
SCHEMBL27702715 0.72 CD44 (0.40) CD44CHEK1NEK2LIMK1DYRK1A
SCHEMBL6739797 0.71 PRKCI (0.40) PRKCIACHESLC6A4HTR2ADHFR
SCHEMBL6742102 0.71 PRKCI (0.35) PRKCIACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 US disclosed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US disclosed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP disclosed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 EP 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-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO PRKCI 2922/4885ACHE 2422/4885CD44 649/4885

“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.