SCHEMBL6011489

SCHEMBL6011489

Cc1c(N)cccc1-c1ccc(N)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
TSHR P16473 2/20 0.50
PIK3CA P42336 1/20 0.50
CASP1 P29466 2/20 0.45
ALDH1A1 P00352 7/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 3/20 0.38
PTPRC P08575 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
TDP2 O95551 2/20 0.38
NSD2 O96028 2/20 0.38
BLM P54132 2/20 0.38

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
SCHEMBL3784789 0.86 CYP3A4 (0.48) CYP3A4TSHRPIK3CACASP1ALDH1A1
SCHEMBL6011236 0.86 CASP1 (0.48) CYP3A4TSHRPIK3CACASP1ALDH1A1
SCHEMBL30839804 0.86 CYP3A4 (0.48) CYP3A4TSHRPIK3CACASP1ALDH1A1
SCHEMBL29683594 0.86 CYP3A4 (0.48) CYP3A4TSHRPIK3CACASP1ALDH1A1
SCHEMBL3784862 0.84 CYP3A4 (0.50) CYP3A4TSHRPIK3CAALDH1A1L3MBTL1
SCHEMBL6011275 0.83 TSHR (0.42) CYP3A4TSHRPIK3CACASP1ALDH1A1
SCHEMBL30839749 0.82 CYP3A4 (0.72) CYP3A4TSHRPIK3CACASP1ALDH1A1
SCHEMBL2206282 0.82 CYP3A4 (0.72) CYP3A4TSHRPIK3CACASP1ALDH1A1
SCHEMBL3785048 0.82 PLA2G7 (0.58) CYP3A4TSHRPIK3CACASP1ALDH1A1
SCHEMBL31661352 0.82 PLA2G7 (0.58) CYP3A4TSHRPIK3CACASP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP disclosed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US disclosed
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 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-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 CYP3A4 3726/4885TSHR 4772/4885PIK3CA 3405/4885

“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.