SCHEMBL4516773

SCHEMBL4516773

CC(C)[C@@H](N)CNc1nc(-c2ccccc2O)nc2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.49
MEN1 O00255 10/20 0.48
KMT2A Q03164 10/20 0.48
RXFP1 Q9HBX9 2/20 0.48
PAK4 O96013 2/20 0.48
MAPT P10636 8/20 0.47
HIF1A Q16665 2/20 0.43
NPSR1 Q6W5P4 3/20 0.43
EGFR P00533 1/20 0.43
PKM P14618 1/20 0.43
PDE5A O76074 2/20 0.42
PIP4K2A P48426 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
HCRTR1 O43613 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL4516771 1.00 ALK (0.49) ALKMEN1KMT2ARXFP1PAK4
SCHEMBL4516776 1.00 ALK (0.49) ALKMEN1KMT2ARXFP1PAK4
SCHEMBL4505646 0.93 ALK (0.50) ALKMEN1KMT2ARXFP1PAK4
SCHEMBL4505637 0.93 ALK (0.50) ALKMEN1KMT2ARXFP1PAK4
SCHEMBL4516583 0.91 CDK9 (0.46) ALKMEN1KMT2ARXFP1PAK4
SCHEMBL4516590 0.91 CDK9 (0.46) ALKMEN1KMT2ARXFP1PAK4
SCHEMBL4516589 0.91 CDK9 (0.46) ALKMEN1KMT2ARXFP1PAK4
SCHEMBL4505840 0.89 ALK (0.47) ALKMEN1KMT2ARXFP1PAK4
SCHEMBL4505843 0.89 ALK (0.47) ALKMEN1KMT2ARXFP1PAK4
SCHEMBL4505831 0.89 ALK (0.47) ALKMEN1KMT2ARXFP1PAK4

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 ALK 619/4885MEN1 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.