SCHEMBL4523737

SCHEMBL4523737

CCC(N)CNc1nc(-c2cc(C)ccc2O)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
RXFP1 Q9HBX9 1/20 0.49
EGFR P00533 5/20 0.48
ACP1 P24666 1/20 0.46
MAPT P10636 3/20 0.45
HIF1A Q16665 1/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PIP4K2A P48426 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 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
SCHEMBL4523730 1.00 CHEK2 (0.53) CHEK2MEN1KMT2ARXFP1EGFR
SCHEMBL4523734 1.00 CHEK2 (0.53) CHEK2MEN1KMT2ARXFP1EGFR
SCHEMBL4503920 0.92 SLC6A3 (0.46) CHEK2MEN1KMT2ARXFP1EGFR
SCHEMBL4503929 0.92 SLC6A3 (0.46) CHEK2MEN1KMT2ARXFP1EGFR
SCHEMBL4503925 0.92 SLC6A3 (0.46) CHEK2MEN1KMT2ARXFP1EGFR
SCHEMBL4521718 0.91 CHEK2 (0.51) CHEK2MEN1KMT2ARXFP1EGFR
SCHEMBL4521721 0.91 CHEK2 (0.51) CHEK2MEN1KMT2ARXFP1EGFR
SCHEMBL4521712 0.91 CHEK2 (0.51) CHEK2MEN1KMT2ARXFP1EGFR
SCHEMBL4510152 0.90 CHEK2 (0.54) CHEK2MEN1KMT2ARXFP1EGFR
SCHEMBL4502538 0.90 MEN1 (0.50) CHEK2MEN1KMT2ARXFP1EGFR

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 606/4885MEN1 4237/4885KMT2A 230/4885

“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.