SCHEMBL4513952

SCHEMBL4513952

COc1ccccc1-c1nc(NCCN(C)C)c2ccccc2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.74
CYP2D6 P10635 16/20 0.74
CYP3A4 P08684 15/20 0.74
HSD17B10 Q99714 9/20 0.74
ALOX15 P16050 8/20 0.74
ALDH1A1 P00352 7/20 0.74
USP2 O75604 7/20 0.74
CYP2C19 P33261 10/20 0.69
TSHR P16473 10/20 0.69
LMNA P02545 7/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
MAPK1 P28482 3/20 0.69
KDM4E B2RXH2 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
TLR9 Q9NR96 1/20 0.65
TP53 P04637 2/20 0.63
CLK4 Q9HAZ1 5/20 0.62
POLB P06746 2/20 0.62
RAD52 P43351 2/20 0.62
SMARCA2 P51531 1/20 0.62

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
SCHEMBL4511273 0.85 CYP1A2 (0.78) CYP1A2CYP2D6CYP3A4HSD17B10ALOX15
SCHEMBL4515707 0.83 TLR9 (0.67) CYP1A2CYP2D6CYP3A4ALDH1A1TSHR
SCHEMBL1083851 0.82 MEN1 (0.81) CYP1A2CYP2D6CYP3A4HSD17B10ALOX15
SCHEMBL29713600 0.81 TLR9 (0.95) ALDH1A1MAPK1TLR9POLBRAD52
SCHEMBL1085391 0.81 TLR9 (0.95) ALDH1A1MAPK1TLR9POLBRAD52
SCHEMBL3907059 0.79 MEN1 (0.70) CYP1A2CYP2D6CYP3A4HSD17B10ALOX15
SCHEMBL29713606 0.79 TLR9 (1.00) CYP1A2CYP2D6CYP3A4HSD17B10ALDH1A1
SCHEMBL5047707 0.79 TLR9 (1.00) CYP1A2CYP2D6CYP3A4HSD17B10ALDH1A1
SCHEMBL8907554 0.77 TLR9 (0.65) ALDH1A1MAPK1TLR9POLBRAD52
SCHEMBL3460899 0.77 TLR9 (0.81) ALDH1A1TSHRSMN1; SMN2MAPK1KDM4E

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 CYP1A2 3783/4885CYP2D6 3142/4885CYP3A4 4100/4885

“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.