SCHEMBL2085140

SCHEMBL2085140

Cc1cccnc1CNC(CCCN)Cc1ncc(C(F)(F)F)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.36
CXCR4 P61073 5/20 0.34
ADORA2A P29274 3/20 0.32
ADORA1 P30542 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SYK P43405 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
TRPV3 Q8NET8 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 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
SCHEMBL4214955 0.87 CXCR4 (0.41) CXCR4ADORA2AADORA1MAOAMAOB
SCHEMBL2084233 0.85 CXCR4 (0.42) CXCR4ADORA2AADORA1MAOAMAOB
SCHEMBL2082171 0.82 ADORA2A (0.41) CXCR4ADORA2AADORA1MAOAMAOB
SCHEMBL2083105 0.82 CACNA1H (0.35) CXCR4ADORA2AADORA1MAOAMAOB
SCHEMBL2085159 0.79 CXCR4 (0.38) CXCR4ADORA2AADORA1MAOAMAOB
SCHEMBL2083908 0.79 ADORA2A (0.38) CXCR4ADORA2AADORA1MAOAMAOB
SCHEMBL2085013 0.78 CXCR4 (0.37) AGBL2CXCR4MAOAMAOBTRPV3
SCHEMBL2083520 0.78 CXCR4 (0.35) AGBL2CXCR4MAOAMAOBCYP1A2
SCHEMBL2084251 0.78 HRH1 (0.39) CXCR4ADORA2AADORA1MAOAMAOB
SCHEMBL2082894 0.78 CXCR4 (0.42) CXCR4MAOAMAOBCYP1A2CYP3A4

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 7 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
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US claimed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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 (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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 AGBL2 3707/4885CXCR4 1/4885ADORA2A 66/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 AGBL2 3675/4885CXCR4 1/4885ADORA2A 58/4885

“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.