SCHEMBL6741777

SCHEMBL6741777

CN(Cc1cc(N)ccc1N)c1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ACHE P22303 2/20 0.38
SLC6A4 P31645 6/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 3/20 0.36
CYP19A1 P11511 1/20 0.34
CYP3A4 P08684 2/20 0.33
HTR2A P28223 1/20 0.33
HTR6 P50406 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP1 P29466 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
JAK2 O60674 1/20 0.31

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
SCHEMBL6739435 0.87 PRKCI (0.37) PRKCICHEK1NEK2LIMK1DYRK1A
SCHEMBL6743463 0.86 PRKCI (0.41) PRKCICHEK1NEK2LIMK1DYRK1A
SCHEMBL6743251 0.81 PRKCI (0.36) PRKCICHEK1NEK2LIMK1DYRK1A
SCHEMBL6743260 0.81 PRKCI (0.36) PRKCICHEK1NEK2LIMK1DYRK1A
SCHEMBL6741221 0.77 ALDH1A1 (0.45) PRKCIACHESLC6A4CYP3A4HTR2A
SCHEMBL6742102 0.76 PRKCI (0.35) PRKCIACHEJAK2JAK1TYK2
SCHEMBL17167059 0.76 TSHR (0.42) PRKCISLC6A4SLC6A2SLC6A3
SCHEMBL6735671 0.76 PRKCI (0.39) PRKCIACHESLC6A4CYP19A1CYP3A4
SCHEMBL6742100 0.75 PRKCI (0.35) PRKCIACHESLC6A4HSD17B10
SCHEMBL1708813 0.75 SLC6A4 (0.50) PRKCIACHESLC6A4SLC6A2SLC6A3

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 2922/4885CHEK1 2009/4885NEK2 1971/4885

“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.