SCHEMBL2083874

SCHEMBL2083874

Cc1cnc(CNC(C)(C)c2ccccn2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
DPP4 P27487 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 1/20 0.33
IMPDH2 P12268 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
CHRM2 P08172 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2085376 0.87 ANO1 (0.38) HDAC6TGFBR1TGFBR2DPP4MEN1
SCHEMBL2084352 0.74 CXCR4 (0.45) CXCR4HDAC6CYP1A2CYP3A4CYP2C19
SCHEMBL24451411 0.71 SMN1; SMN2 (0.45) HDAC6DPP4SMN1; SMN2L3MBTL1IMPDH2
SCHEMBL4033313 0.68 CXCR4 (0.49) CXCR4KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4033309 0.68 CXCR4 (0.44) CXCR4MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7049227 0.68 CXCR4 (0.59) CXCR4CHRM2
SCHEMBL20483313 0.67 NOS3 (0.43) CXCR4ADORA2ACYP1A2CCR1CCR5
SCHEMBL2055586 0.65 SMN1; SMN2 (0.50) HDAC6DPP4SMN1; SMN2L3MBTL1ADORA2A
SCHEMBL2086487 0.65 CXCR4 (0.38) CXCR4ADORA2ACCR1CCR5CCR8
SCHEMBL24449646 0.64 SMN1; SMN2 (0.48) HDAC6DPP4MEN1KMT2ASMN1; SMN2

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-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
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 CXCR4 1/4885HDAC6 3403/4885TGFBR1 1281/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885HDAC6 2532/4885TGFBR1 1538/4885

“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.