SCHEMBL5054946

SCHEMBL5054946

CNC(CCCN)Cc1ncccc1C(C)(C)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.34
SYK P43405 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
SCHEMBL5054940 0.80 KDM4E (0.32)
SCHEMBL2083572 0.79 CXCR4 (0.35) CXCR4
SCHEMBL2084201 0.72 CXCR4 (0.35) CXCR4
SCHEMBL2086326 0.70 CXCR4 (0.38) CXCR4
Hydrochloric Acid SCHEMBL2084690 0.69 CXCR4 (0.38) CXCR4
SCHEMBL2084496 0.67 CXCR4 (0.38) CXCR4
SCHEMBL12935008 0.66 CXCR4 (0.47) CXCR4
SCHEMBL2084233 0.66 CXCR4 (0.42) CXCR4
SCHEMBL23428779 0.65 POLB (0.37) CXCR4SYK
SCHEMBL2084695 0.65 CXCR4 (0.41) CXCR4

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-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 CXCR4 1/4885SYK 1352/4885

“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.