SCHEMBL4497598

SCHEMBL4497598

CCC(N)CNc1nc(-c2cc(-c3ccc(Cl)cc3)ccc2O)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
ALK Q9UM73 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP1 O94782 3/20 0.46
WDR48 Q8TAF3 3/20 0.46
SLC2A1 P11166 1/20 0.46
POLB P06746 2/20 0.45
PDE5A O76074 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
CHEK2 O96017 1/20 0.45
ACP1 P24666 1/20 0.45
PRKD3 O94806 2/20 0.44
PRKD1 Q15139 2/20 0.44
PRKD2 Q9BZL6 2/20 0.44
EGFR P00533 2/20 0.44
GAA P10253 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
SCHEMBL4497594 1.00 PDE10A (0.49) PDE10AALKMEN1KMT2AUSP1
SCHEMBL4497588 1.00 PDE10A (0.49) PDE10AALKMEN1KMT2AUSP1
SCHEMBL4514611 0.94 ACP1 (0.51) MEN1KMT2APDE5ARXFP1MAPT
SCHEMBL4514616 0.94 ACP1 (0.51) MEN1KMT2APDE5ARXFP1MAPT
SCHEMBL8227557 0.94 ACP1 (0.51) MEN1KMT2APDE5ARXFP1MAPT
SCHEMBL4514622 0.94 ACP1 (0.51) MEN1KMT2APDE5ARXFP1MAPT
SCHEMBL4518151 0.93 CHEK2 (0.48) PDE10AALKMEN1KMT2AUSP1
SCHEMBL4518159 0.93 CHEK2 (0.48) PDE10AALKMEN1KMT2AUSP1
SCHEMBL4518165 0.93 CHEK2 (0.48) PDE10AALKMEN1KMT2AUSP1
SCHEMBL4521024 0.92 USP1 (0.50) PDE10AALKMEN1KMT2AUSP1

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 PDE10A 523/4885ALK 619/4885MEN1 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.