SCHEMBL4064067

SCHEMBL4064067

Cc1cnc(CN(Cc2cccc(CNC(=O)c3c(Cl)cncc3Cl)c2)C2CCCc3cccnc32)o1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.42
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40

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
SCHEMBL4067364 0.94 CXCR4 (0.40) CXCR4CYP3A4CYP2D6
SCHEMBL4064169 0.94 CXCR4 (0.42) CXCR4CYP3A4CYP2D6
SCHEMBL27533366 0.92 CXCR4 (0.41) CXCR4CYP3A4CYP2D6
SCHEMBL4068889 0.89 CXCR4 (0.43) CXCR4CYP3A4CYP2D6
SCHEMBL4065743 0.89 CXCR4 (0.44) CXCR4CYP3A4CYP2D6
SCHEMBL27533369 0.88 MMP13 (0.41) CXCR4CYP3A4CYP2D6
SCHEMBL4068474 0.87 CXCR4 (0.41) CXCR4CYP3A4CYP2D6
SCHEMBL7172861 0.87 CXCR4 (0.43) CXCR4CYP3A4CYP2D6
SCHEMBL4063666 0.86 CXCR4 (0.42) CXCR4CYP3A4CYP2D6
SCHEMBL4062765 0.86 CXCR4 (0.42) CXCR4CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US claimed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US claimed
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 US disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 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 (3 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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 CXCR4 9/4885CYP3A4 1925/4885CYP2D6 1866/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 CXCR4 9/4885CYP3A4 1925/4885CYP2D6 1866/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 CXCR4 9/4885CYP3A4 1925/4885CYP2D6 1866/4885

“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.