SCHEMBL4521024

SCHEMBL4521024

CCC(N)CNc1nc(-c2cc(-c3cccc(Cl)c3)ccc2O)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.50
WDR48 Q8TAF3 1/20 0.50
PDE5A O76074 4/20 0.48
ACP1 P24666 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
CHEK2 O96017 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PRKD3 O94806 2/20 0.43
PRKD1 Q15139 2/20 0.43
PRKD2 Q9BZL6 2/20 0.43
TGFBR1 P36897 1/20 0.43
PDE10A Q9Y233 1/20 0.43
EGFR P00533 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4521007 1.00 USP1 (0.50) USP1WDR48PDE5AACP1MEN1
SCHEMBL4521016 1.00 USP1 (0.50) USP1WDR48PDE5AACP1MEN1
SCHEMBL4497588 0.92 PDE10A (0.49) USP1WDR48PDE5AACP1MEN1
SCHEMBL4497594 0.92 PDE10A (0.49) USP1WDR48PDE5AACP1MEN1
SCHEMBL4497598 0.92 PDE10A (0.49) USP1WDR48PDE5AACP1MEN1
SCHEMBL8229988 0.92 ACP1 (0.49) USP1WDR48PDE5AACP1MEN1
SCHEMBL4514622 0.92 ACP1 (0.51) PDE5AACP1MEN1KMT2AMAPT
SCHEMBL4514611 0.92 ACP1 (0.51) PDE5AACP1MEN1KMT2AMAPT
SCHEMBL8227557 0.92 ACP1 (0.51) PDE5AACP1MEN1KMT2AMAPT
SCHEMBL4514616 0.92 ACP1 (0.51) PDE5AACP1MEN1KMT2AMAPT

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 USP1 4530/4885WDR48 2739/4885PDE5A 1597/4885

“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.