SCHEMBL2989287

SCHEMBL2989287

COc1cccc(-n2ncc(N)c2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
USP7 Q93009 1/20 0.48
RIPK2 O43353 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HTT P42858 3/20 0.47
GFER P55789 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.45
GLA P06280 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 3/20 0.45
HPGDS O60760 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 4/20 0.44
S1PR4 O95977 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2996492 0.81 MAPK14 (0.56) NPBWR1MCHR1USP7ALDH1A1HTT
SCHEMBL30120645 0.81 KMT2A (0.71) NPBWR1MCHR1USP7RIPK2ALDH1A1
SCHEMBL544885 0.81 KMT2A (0.71) NPBWR1MCHR1USP7RIPK2ALDH1A1
SCHEMBL3246064 0.80 KMT2A (0.66) RIPK2ALDH1A1HTTGFERRAB9A
Hydrochloric Acid SCHEMBL5402735 0.80 MAPK14 (0.55) NPBWR1MCHR1USP7ALDH1A1HTT
SCHEMBL23723511 0.80 RIPK2 (0.65) NPBWR1MCHR1RIPK2ALDH1A1HTT
SCHEMBL30120709 0.80 RIPK2 (0.65) NPBWR1MCHR1RIPK2ALDH1A1HTT
Hydrochloric Acid SCHEMBL5405724 0.79 KMT2A (0.64) RIPK2ALDH1A1HTTGFERRAB9A
SCHEMBL544605 0.75 POLB (0.58) NPBWR1MCHR1USP7RIPK2ALDH1A1
SCHEMBL1753026 0.75 NPC1 (0.63) RIPK2ALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US disclosed
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
EP-1226107-B1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AG (DE) 2005-10-05 EP disclosed
EP-1493731-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and these derivatives Wella Aktiengesellschaft (DE) 2005-01-05 EP disclosed
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-6689174-B2 FOR OXIDATIVELY DYEING HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-02-10 US disclosed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 US disclosed
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives CHASSOT LAURENT (CH) 2002-11-14 US disclosed
EP-1226107-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2002-07-31 EP disclosed
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 WO disclosed
WO-2002018318-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 WO 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 (2 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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B NPBWR1 2249/4885MCHR1 425/4885USP7 2794/4885
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM NPBWR1 614/4885MCHR1 4326/4885USP7 2425/4885

“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.