SCHEMBL177809

SCHEMBL177809

COc1ccc(CNc2ccc(N)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
RAB9A P51151 3/20 0.70
GAA P10253 3/20 0.70
NPC1 O15118 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
NR4A1 P22736 1/20 0.61
TDP1 Q9NUW8 3/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
KDM4E B2RXH2 1/20 0.61
FFAR1 O14842 1/20 0.59
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
HIF1A Q16665 1/20 0.57

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
SCHEMBL11935861 1.00 MAPT (0.70) MAPTRAB9AGAANPC1L3MBTL1
Hydrochloric Acid SCHEMBL2984718 0.98 MAPT (0.68) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL10055019 0.91 MAPT (0.82) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL1844199 0.91 MAPT (0.82) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL5669873 0.91 MAPT (0.82) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL18434613 0.86 MAPT (0.70) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL22783768 0.85 MAPT (0.74) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL455536 0.84 MEN1 (0.50) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL5154356 0.84 MEN1 (0.50) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL3422016 0.84 MEN1 (0.50) MAPTRAB9AGAANPC1L3MBTL1

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 24 patents — showing the first 20. 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 claimed
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 claimed
US-6689174-B2 FOR OXIDATIVELY DYEING HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-02-10 US claimed
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 claimed
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 claimed
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 claimed
EP-2386545-A1 Heteroaryl ureas containing nitrogen hetero-atoms as P38 kinase inhibitors Bayer Healthcare LLC (US) 2011-11-16 EP disclosed
EP-1379507-B1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-08-17 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
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
EP-1379505-B1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER PHARMACEUTICALS CORP (US) 2007-02-28 EP disclosed
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER HEALTHCARE LLC 2006-01-26 US disclosed
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION 2003-11-06 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
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 WO disclosed
WO-2002085857-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-10-31 WO 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
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 US 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 (5 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-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF MAPT 908/4885RAB9A 558/4885GAA 2983/4885
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF MAPT 938/4885RAB9A 574/4885GAA 3020/4885
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF MAPT 908/4885RAB9A 558/4885GAA 2983/4885
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 MAPT 150/4885RAB9A 1159/4885GAA 3052/4885
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM MAPT 725/4885RAB9A 2646/4885GAA 3243/4885

“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.