SCHEMBL4874795

SCHEMBL4874795

CCN(CC)CCCNc1nc(Cl)nc(NCCCN(CC)CC)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.52
CCR4 P51679 2/20 0.44
TOP2A P11388 1/20 0.43
NR1I2 O75469 1/20 0.43
AHR P35869 1/20 0.43
TSHR P16473 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
NSD2 O96028 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
FGFR1 P11362 1/20 0.42
SLC2A1 P11166 1/20 0.41
GAA P10253 1/20 0.41
CACNA2D1 P54289 1/20 0.41

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
SCHEMBL14029367 0.85 KMT2A (0.46) KMT2ACCR4TOP2ATSHRGAA
SCHEMBL12087313 0.82 TLR8 (0.51) KMT2ACCR4TOP2ATSHRFGFR1
SCHEMBL22304462 0.82 TOP2A (0.43) KMT2ACCR4TOP2ATSHRFGFR1
SCHEMBL14065592 0.82 CACNA2D1 (0.44) KMT2ACCR4TOP2ATSHRFGFR1
SCHEMBL25809403 0.81 KMT2A (0.51) KMT2ALMNANR1I2AHRMAPT
SCHEMBL24700672 0.79 TOP2A (0.42) KMT2ACCR4TOP2ATSHRAPAF1
SCHEMBL14047483 0.79 ALDH1A1 (0.46) KMT2ACCR4TOP2ATSHRGAA
SCHEMBL14181384 0.79 TP53 (0.47) KMT2ACCR4TOP2ATSHRFGFR1
SCHEMBL2783761 0.79 KMT2A (0.71) KMT2ALMNANR1I2AHR
SCHEMBL1704387 0.79 GAA (0.44) CCR4TOP2ATSHRAPAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080251758-A1 Triazine Compounds Comprising Substituents Containing Amino Groups and Carboxyl Groups EVONIK DEGUSSA GMBH (DE) 2008-10-16 US disclosed
EP-1787989-A1 Triazine derivatives containing amino and carboxylic acic group Degussa GmbH (DE) 2007-05-23 EP disclosed
US-4370443-A QUATERNARY AMMONIUM POLYTRIAZINES, MORDANTS, FIXING AGENTS, CATIONIC SURFACTANTS STERLING DRUG INC. (US) 1983-01-25 US disclosed
US-4347352-A REACTING CYANURIC CHLORIDE WITH A TERTIARY AMINE; FOR USE AS MORDANTS, SOFTENERS, SURFACTANTS STERLING DRUG INC. (US) 1982-08-31 US disclosed
US-4314001-A FOR SOFTENING FIBERS; TRIAZINE QUATERNARY AMMONIUM POLYMERS STERLING DRUG INC. (US) 1982-02-02 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 (1 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-20080251758-A1 Triazine Compounds Comprising Substituents Containing Amino Groups and Carboxyl Groups GTF3C5, BAZ2A, AADAC KMT2A 1207/4885LMNA 4433/4885CCR4 521/4885

“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.