SCHEMBL4520542

SCHEMBL4520542

COc1ccccc1-c1nc(NCCN)c2cc(Cl)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.59
CYP2D6 P10635 15/20 0.59
CYP3A4 P08684 14/20 0.59
ALOX15 P16050 8/20 0.59
HSD17B10 Q99714 8/20 0.59
USP2 O75604 7/20 0.59
ALDH1A1 P00352 6/20 0.59
CYP2C19 P33261 11/20 0.55
TSHR P16473 7/20 0.55
LMNA P02545 6/20 0.55
MAPK1 P28482 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
CLK4 Q9HAZ1 7/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48

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 0.86 CYP1A2 (0.78) CYP1A2CYP2D6CYP3A4ALOX15HSD17B10
SCHEMBL4520338 0.83 ALK (0.53) CYP1A2CYP2D6CYP3A4HSD17B10ALDH1A1
SCHEMBL4519837 0.77 CHEK1 (0.57) CYP1A2CYP2D6CYP3A4ALOX15HSD17B10
SCHEMBL3908964 0.75 CYP1A2 (0.67) CYP1A2CYP2D6CYP3A4ALOX15HSD17B10
SCHEMBL4516779 0.74 CHEK2 (0.56) CYP1A2CYP2D6CYP3A4ALDH1A1CYP2C19
SCHEMBL3910635 0.74 ALK (0.53) CYP1A2CYP2D6CYP3A4HSD17B10ALDH1A1
SCHEMBL13673955 0.74 CYP1A2 (0.59) CYP1A2CYP2D6CYP3A4ALOX15HSD17B10
SCHEMBL4513952 0.73 CYP1A2 (0.74) CYP1A2CYP2D6CYP3A4ALOX15HSD17B10
SCHEMBL1083888 0.73 MAPK1 (0.73) CYP1A2CYP2D6CYP3A4HSD17B10ALDH1A1
SCHEMBL13300259 0.73 CYP1A2 (0.71) CYP1A2CYP2D6CYP3A4ALOX15HSD17B10

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.