SCHEMBL4518159

SCHEMBL4518159

CC[C@H](N)CNc1nc(-c2cc(-c3cc(Cl)ccc3O)ccc2O)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
ALK Q9UM73 1/20 0.47
PDE10A Q9Y233 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ACP1 P24666 1/20 0.44
EGFR P00533 2/20 0.43
SLC2A1 P11166 1/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43
CDK9 P50750 1/20 0.43
RAB9A P51151 1/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL4518165 1.00 CHEK2 (0.48) CHEK2ALKPDE10AMEN1KMT2A
SCHEMBL4518151 1.00 CHEK2 (0.48) CHEK2ALKPDE10AMEN1KMT2A
SCHEMBL4524757 0.95 CHEK2 (0.52) CHEK2ALKPDE10AMEN1KMT2A
SCHEMBL4524743 0.95 CHEK2 (0.52) CHEK2ALKPDE10AMEN1KMT2A
SCHEMBL4524752 0.95 CHEK2 (0.52) CHEK2ALKPDE10AMEN1KMT2A
Hydrochloric Acid SCHEMBL30338167 0.94 CHEK2 (0.52) CHEK2ALKPDE10AMEN1KMT2A
SCHEMBL4497594 0.93 PDE10A (0.49) CHEK2ALKPDE10AMEN1KMT2A
SCHEMBL4497588 0.93 PDE10A (0.49) CHEK2ALKPDE10AMEN1KMT2A
SCHEMBL4497598 0.93 PDE10A (0.49) CHEK2ALKPDE10AMEN1KMT2A
SCHEMBL4521024 0.91 USP1 (0.50) CHEK2ALKPDE10AMEN1KMT2A

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 1 patent. 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

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 CHEK2 606/4885ALK 619/4885PDE10A 523/4885

“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.