SCHEMBL2996492

SCHEMBL2996492

COc1ccc(-n2ncc(N)c2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.56
MAPKAPK2 P49137 1/20 0.55
XDH P47989 1/20 0.54
PTPN1 P18031 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
PAX8 Q06710 1/20 0.50
HIF1A Q16665 1/20 0.47
NPBWR1 P48145 7/20 0.44
USP7 Q93009 1/20 0.44
MCHR1 Q99705 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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 SCHEMBL5402735 0.98 MAPK14 (0.55) MAPK14MAPKAPK2XDHPTPN1SMN1; SMN2
SCHEMBL2989287 0.81 NPBWR1 (0.49) MAPK14SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3251404 0.79 RAB9A (0.56) XDHSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5274776 0.79 MAPK14 (0.53) MAPK14MAPKAPK2XDHPTPN1SMN1; SMN2
SCHEMBL3300932 0.79 KMT2A (0.66) MAPK14MAPKAPK2XDHPTPN1SMN1; SMN2
SCHEMBL3252312 0.79 RAB9A (0.44) MAPK14XDHSMN1; SMN2ALDH1A1NPC1
Hydrochloric Acid SCHEMBL5413922 0.78 RAB9A (0.54) XDHSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3296237 0.78 PTPN1 (0.79) MAPK14MAPKAPK2PTPN1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5405647 0.78 MAPK14 (0.52) MAPK14MAPKAPK2XDHPTPN1SMN1; SMN2
SCHEMBL2786396 0.78 MAPK14 (0.70) MAPK14MAPKAPK2XDHPTPN1SMN1; 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575943-A1 3-CYANO-QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2005-09-21 EP claimed
WO-2005023209-A1 AGENT AND METHOD FOR DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-03-17 WO claimed
WO-2004041811-A1 3-CYANO-QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-21 WO claimed
CN-111295178-A Method for improving color durability of artificially colored hair 莱雅公司 2020-06-16 CN disclosed
EP-2274286-B1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF PROCTER & GAMBLE (US) 2015-08-05 EP disclosed
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-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 EP disclosed
US-7455697-B2 (3,5-diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers WELLA AG (DE) 2008-11-25 US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 US disclosed
US-20070180629-A1 (3,5-Diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers Wella GmbH (DE) 2007-08-09 US disclosed
US-7195649-B2 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds WELLA AG (DE) 2007-03-27 US disclosed
WO-2004047781-A1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2004-06-10 WO disclosed
WO-2004041811-A1 3-CYANO-QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-21 WO 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 (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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B MAPK14 1396/4885MAPKAPK2 2231/4885XDH 1475/4885
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM MAPK14 716/4885MAPKAPK2 942/4885XDH 2524/4885
US-20070180629-A1 (3,5-Diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers GRHPR, MB, COX5B MAPK14 1048/4885MAPKAPK2 1144/4885XDH 247/4885

“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.