SCHEMBL2085605

SCHEMBL2085605

Nc1cccnc1CC(N)CCCNCc1ncccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 5/20 0.33
CHRM2 P08172 2/20 0.33
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL10483955 0.75 CHRM2 (0.40) SLC40A1CHRM2POLBMEN1KMT2A
SCHEMBL2082216 0.73 CXCR4 (0.36)
SCHEMBL23428770 0.70 CXCR4 (0.43) CHRM2
SCHEMBL23870975 0.70 SIGMAR1 (0.33)
SCHEMBL7995737 0.70 SLC40A1 (0.38) SLC40A1CHRM2POLBMEN1KMT2A
SCHEMBL30894457 0.67 CHRM2 (0.62) CHRM2MEN1KMT2A
SCHEMBL20278969 0.67 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL28330979 0.67 CD274 (0.43) SLC40A1CHRM2
SCHEMBL16269366 0.66 CYP2C19 (0.44) SLC40A1MEN1KMT2A
SCHEMBL19582432 0.65 SLC40A1 (0.36) SLC40A1CHRM2MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US claimed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed

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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 SLC40A1 1604/4885CHRM2 655/4885POLB 4206/4885

“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.