SCHEMBL4501225

SCHEMBL4501225

CC(C)C(N)CNc1nc(-c2ccc(Cl)cc2O)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ACP1 P24666 1/20 0.49
MAPT P10636 3/20 0.47
PDE10A Q9Y233 1/20 0.46
PIP4K2A P48426 1/20 0.45
PAK4 O96013 2/20 0.44
HIF1A Q16665 1/20 0.44
PDE5A O76074 2/20 0.44
CHEK2 O96017 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
EGFR P00533 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL4501217 1.00 ALK (0.50) ALKMEN1KMT2ARXFP1ACP1
SCHEMBL4501222 1.00 ALK (0.50) ALKMEN1KMT2ARXFP1ACP1
SCHEMBL4513799 0.93 CHEK2 (0.52) ALKMEN1KMT2ARXFP1ACP1
SCHEMBL4513792 0.93 CHEK2 (0.52) ALKMEN1KMT2ARXFP1ACP1
SCHEMBL4513797 0.93 CHEK2 (0.52) ALKMEN1KMT2ARXFP1ACP1
SCHEMBL4502042 0.92 ALK (0.51) ALKMEN1KMT2ARXFP1ACP1
SCHEMBL4502037 0.92 ALK (0.51) ALKMEN1KMT2ARXFP1ACP1
SCHEMBL4512029 0.89 ACP1 (0.50) ALKMEN1KMT2ARXFP1ACP1
SCHEMBL4512038 0.89 ACP1 (0.50) ALKMEN1KMT2ARXFP1ACP1
SCHEMBL4512035 0.89 ACP1 (0.50) ALKMEN1KMT2ARXFP1ACP1

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.