SCHEMBL4521155

SCHEMBL4521155

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.52
CHEK1 O14757 6/20 0.52
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RXFP1 Q9HBX9 2/20 0.48
EGFR P00533 2/20 0.47
ACP1 P24666 1/20 0.46
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.44
USP1 O94782 1/20 0.43
WDR48 Q8TAF3 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 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
SCHEMBL4521146 1.00 CHEK2 (0.52) CHEK2CHEK1MEN1KMT2ARXFP1
SCHEMBL4521149 1.00 CHEK2 (0.52) CHEK2CHEK1MEN1KMT2ARXFP1
SCHEMBL4511786 0.93 MEN1 (0.46) CHEK2CHEK1MEN1KMT2ARXFP1
SCHEMBL4511784 0.93 MEN1 (0.46) CHEK2CHEK1MEN1KMT2ARXFP1
SCHEMBL4511790 0.93 MEN1 (0.46) CHEK2CHEK1MEN1KMT2ARXFP1
SCHEMBL4510114 0.91 CHEK2 (0.50) CHEK2CHEK1MEN1KMT2ARXFP1
SCHEMBL4510123 0.91 CHEK2 (0.50) CHEK2CHEK1MEN1KMT2ARXFP1
SCHEMBL4510119 0.91 CHEK2 (0.50) CHEK2CHEK1MEN1KMT2ARXFP1
SCHEMBL4511294 0.91 CHEK2 (0.45) CHEK2CHEK1MEN1KMT2ARXFP1
SCHEMBL4511284 0.91 CHEK2 (0.45) CHEK2CHEK1MEN1KMT2ARXFP1

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 606/4885CHEK1 1030/4885MEN1 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.