SCHEMBL4515707

SCHEMBL4515707

CN(C)CCNc1nc(-c2ccccc2O)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.67
ACP1 P24666 1/20 0.65
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
RXFP1 Q9HBX9 1/20 0.65
POLB P06746 4/20 0.65
RAD52 P43351 2/20 0.65
SMARCA2 P51531 1/20 0.65
MAPT P10636 6/20 0.59
HIF1A Q16665 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
LMNA P02545 2/20 0.59
PTK2B Q14289 1/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 2/20 0.59
EGFR P00533 1/20 0.57
PKM P14618 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL3914712 0.88 MEN1 (0.62) TLR9ACP1MEN1KMT2ARXFP1
SCHEMBL4498282 0.85 MEN1 (0.68) MEN1KMT2ARXFP1POLBMAPT
SCHEMBL1083858 0.84 MEN1 (0.71) MEN1KMT2ARXFP1POLBMAPT
SCHEMBL3917004 0.83 MEN1 (0.70) MEN1KMT2ARXFP1POLBMAPT
SCHEMBL4513952 0.83 CYP1A2 (0.74) TLR9ACP1MEN1KMT2ARXFP1
SCHEMBL1085391 0.83 TLR9 (0.95) TLR9ACP1MEN1KMT2ARXFP1
SCHEMBL29713600 0.83 TLR9 (0.95) TLR9ACP1MEN1KMT2ARXFP1
SCHEMBL16220560 0.82 TLR9 (0.83) TLR9ACP1KMT2ARXFP1POLB
SCHEMBL1083842 0.81 MEN1 (0.67) ACP1MEN1KMT2ARXFP1POLB
SCHEMBL29713606 0.81 TLR9 (1.00) TLR9ACP1KMT2ARXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 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 (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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT TLR9 3852/4885ACP1 282/4885MEN1 4237/4885

“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.