SCHEMBL5203985

SCHEMBL5203985

Cc1cc(N2CCCN(C)CC2)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
MAPT P10636 4/20 0.61
KDM4E B2RXH2 3/20 0.61
PTK2B Q14289 2/20 0.61
MAPK1 P28482 2/20 0.61
HTT P42858 2/20 0.61
RECQL P46063 1/20 0.61
RAD52 P43351 1/20 0.60
KMT2A Q03164 3/20 0.51
ADRA2C P18825 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GFER P55789 1/20 0.51
ESR2 Q92731 1/20 0.51
LMNA P02545 2/20 0.51
CHKA P35790 1/20 0.50
SIRT6 Q8N6T7 1/20 0.49
NCF1 P14598 1/20 0.48
MEN1 O00255 2/20 0.47
S100B P04271 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL6150891 0.93 GAA (0.69) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL519972 0.93 GAA (0.69) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL6151809 0.93 GAA (0.69) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL30191093 0.93 GAA (0.69) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL6266805 0.92 GAA (0.70) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL7032717 0.90 GAA (0.67) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL30565926 0.87 MAPT (0.65) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL3935104 0.87 MAPT (0.65) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL5836840 0.86 GAA (0.47) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL2923577 0.86 GAA (0.67) GAAMAPTKDM4EPTK2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP claimed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US claimed
US-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical L'OREAL S.A. (FR) 2005-05-19 US claimed
US-9181239-B2 Pyridopyrimidinone inhibitors of kinases ABBVIE INC. (US) 2015-11-10 US disclosed
EP-2776434-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES Abbvie Inc. (US) 2014-09-17 EP disclosed
US-20130102590-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC (US) 2013-04-25 US disclosed
WO-2013059485-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-04-25 WO disclosed
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP disclosed
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
EP-1417184-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2004-05-12 EP disclosed
WO-2003014093-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2003-02-20 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-20130102590-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 GAA 2624/4885MAPT 2447/4885KDM4E 585/4885
US-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical KRT18, HPD, PPOX GAA 4732/4885MAPT 2115/4885KDM4E 1418/4885

“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.