SCHEMBL4846994

SCHEMBL4846994

Nc1ccc(NCCCn2cccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
GSK3B P49841 3/20 0.43
CSNK2A2 P19784 1/20 0.43
FGFR2 P21802 1/20 0.43
KDR P35968 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
GSK3A P49840 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK1G2 P78368 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
NLRP3 Q96P20 2/20 0.41
BRD4 O60885 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL6647923 0.91 NLRP3 (0.48) TLR8TLR7GSK3BCSNK2A2FGFR2
SCHEMBL4845810 0.81 TLR8 (0.46) TLR8TLR7GSK3BCSNK2A2FGFR2
SCHEMBL4849026 0.78 TLR8 (0.49) TLR8TLR7GSK3BCSNK2A2FGFR2
SCHEMBL23609248 0.76 TLR8 (0.45) TLR8TLR7GSK3BCSNK2A2FGFR2
SCHEMBL2539814 0.74 SOD1 (0.57) KMT2A
SCHEMBL22212157 0.73 TLR8 (0.42) TLR8TLR7GSK3BCSNK2A2FGFR2
SCHEMBL13573572 0.73 HDAC1 (0.48) TLR8TLR7NLRP3KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5191266 0.73 SOD1 (0.56) POLBKMT2AALDH1A1
SCHEMBL4826691 0.72 GFER (0.45) TLR8TLR7MAOAMAOBMAPT
SCHEMBL2024986 0.72 MAPT (0.56) MAOAMAOBKMT2AAPPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US claimed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US claimed
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1589012-A2 N-alkylheteroaryl secondary para-phenyldiamine, dyeing composition containing the same, process for making it and uses thereof L'OREAL (FR) 2005-10-26 EP claimed
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US 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-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE KRT18, CDC73, PRKDC TLR8 3102/4885TLR7 2330/4885GSK3B 3978/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC TLR8 3102/4885TLR7 2330/4885GSK3B 3978/4885

“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.