SCHEMBL1638570

SCHEMBL1638570

CCOC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)N(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.51
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.33
MAPT P10636 6/20 0.32
TDP1 Q9NUW8 6/20 0.32
KDM4E B2RXH2 4/20 0.32
NPSR1 Q6W5P4 6/20 0.32
PAX8 Q06710 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
AKT1 P31749 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
DRD2 P14416 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL1637981 0.85 CXCR4 (0.66) CXCR4MEN1KMT2APOLBL3MBTL1
SCHEMBL1637511 0.85 CXCR4 (0.66) CXCR4MEN1KMT2APOLBL3MBTL1
SCHEMBL1205691 0.84 CXCR4 (0.53) CXCR4MEN1KMT2APOLBMAPT
SCHEMBL1638568 0.82 CXCR4 (0.50) CXCR4
SCHEMBL1638567 0.81 MEN1 (0.37) MEN1KMT2APOLBMAPTTDP1
SCHEMBL3737249 0.80 CXCR4 (0.49) CXCR4MEN1KMT2ABRD4
SCHEMBL1637532 0.79 CXCR4 (0.68) CXCR4MEN1KMT2APOLBL3MBTL1
SCHEMBL12417070 0.79 CXCR4 (0.68) CXCR4MEN1KMT2APOLBL3MBTL1
SCHEMBL1638543 0.79 CXCR4 (0.68) CXCR4MEN1KMT2APOLBL3MBTL1
SCHEMBL1637501 0.77 CXCR4 (0.74) CXCR4MEN1KMT2APOLBL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP 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 (2 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 CXCR4 86/4885MEN1 1008/4885KMT2A 474/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885MEN1 1361/4885KMT2A 488/4885

“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.