SCHEMBL145074

SCHEMBL145074

Nc1ccc(N)c(-c2cccnc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.59
MEN1 O00255 1/20 0.59
PSIP1 O75475 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
CYP11B1 P15538 2/20 0.51
CYP19A1 P11511 1/20 0.51
CYP11B2 P19099 1/20 0.51
CYP2A6 P11509 5/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
TDO2 P48775 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
DYRK1A Q13627 2/20 0.46
NTRK1 P04629 1/20 0.46
PIK3CA P42336 1/20 0.46
AURKA O14965 1/20 0.45
TTK P33981 1/20 0.45

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
Hydrochloric Acid SCHEMBL7090061 0.98 AXL (0.58) AXLMEN1PSIP1MKNK1MKNK2
Hydrochloric Acid SCHEMBL6739740 0.98 AXL (0.58) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL16405695 0.87 AXL (0.61) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL16405691 0.82 MKNK1 (0.56) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL13745220 0.82 TDO2 (0.54) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL3946385 0.82 IDO1 (0.53) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL30714540 0.82 AXL (0.56) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL1439800 0.82 AXL (0.56) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL6171120 0.82 CYP2A6 (0.51) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL2649494 0.82 AXL (0.56) AXLMEN1PSIP1MKNK1MKNK2

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 589 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
JP-4445553-B2 2010-04-07 JP claimed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP claimed
US-7632591-B2 Branched multiblock polybenzimidazole-benzamide copolymer and method for preparing the same, electrolyte membrane and paste/gel prepared therefrom LG CHEM, LTD. (KR) 2009-12-15 US claimed
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN claimed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
JP-2008512561-A 2008-04-24 JP claimed
CN-100358887-C m-aminophenol derivatives and dyes containing these compounds P & G CLAIROL INC (US) 2008-01-02 CN claimed
CN-100349886-C 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2007-11-21 CN claimed
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 claimed
US-20030172471-A1 1,3-diamino-4-(aminomethyl) - benzene derivatives and colorants containing the said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-09-18 US claimed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP claimed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 US claimed
US-6503282-B1 Composition for coloring keratin fibers based on a developer-coupler combination characterized in that it contains as the coupler 3-(2,4-diaminophenoxy)-1-propanol and as the developer ring and having general formula (I) WELLA AKTIENGESELLSCHAFT (DE) 2003-01-07 US claimed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US claimed
EP-1166749-A2 Composition and process for dyeing keratinic fibres Wella Aktiengesellschaft (DE) 2002-01-02 EP claimed
EP-1158954-A1 MEANS AND METHOD FOR DYING KERATINIC FIBRES Wella Aktiengesellschaft (DE) 2001-12-05 EP claimed
WO-2001051019-A1 MEANS AND METHOD FOR DYING KERATINIC FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2001-07-19 WO claimed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives KRT18, DSP, TUBB4B AXL 1365/4885MEN1 3993/4885PSIP1 3563/4885
US-20030172471-A1 1,3-diamino-4-(aminomethyl) - benzene derivatives and colorants containing the said compounds AOC1, DPYD, NDUFB4 AXL 1584/4885MEN1 4505/4885PSIP1 3117/4885
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 AXL 2853/4885MEN1 3507/4885PSIP1 3496/4885

“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.