Sugi Predict

Sugi Predict / Compounds / SCHEMBL2083396

SCHEMBL2083396

SCHEMBL2083396

Cc1cnc(CN(Cc2nccc3ccccc23)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 4/20 0.37
▸ MAPK8 P45983 4/20 0.37
▸ MAPK9 P45984 4/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ USP2 O75604 1/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CXCR4 P61073 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL2081809 0.93 MAPK8 (0.37) JUNMAPK8MAPK9MAPK10HRH4
SCHEMBL2083524 0.87 OPRL1 (0.36) JUNMAPK8MAPK9MAPK10HRH4
SCHEMBL2083906 0.85 CXCR4 (0.36) MAPTPOLBHSD17B10GSK3BDYRK1A
SCHEMBL4194732 0.84 KCNH2 (0.37) OPRL1CXCR4
SCHEMBL2085583 0.83 TRPV1 (0.36) JUNMAPK8MAPK9MAPK10USP2
SCHEMBL2084358 0.82 TRPV1 (0.42) MAPTPOLBJAK2JAK1CXCR4
SCHEMBL2083942 0.81 HCRTR1 (0.37) JUNMAPK8MAPK9MAPK10CDK2
SCHEMBL2086585 0.80 MEN1 (0.43) MAPTPOLBLMNATP53
SCHEMBL2084312 0.80 HSD11B1 (0.37) CXCR4HSD11B1
SCHEMBL2084734 0.80 TRPV1 (0.38) USP2JAK2JAK1CXCR4HSD11B1

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-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 — — US claimed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 — — US disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 — — US 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-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-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 — — 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 (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 JUN 435/4885MAPK8 2071/4885MAPK9 1527/4885

“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.