SCHEMBL914569

SCHEMBL914569

COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.44
GSK3B P49841 1/20 0.43
SLC2A1 P11166 1/20 0.43
HTR7 P34969 2/20 0.43
DYRK1A Q13627 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
HTR1A P08908 1/20 0.41
EGLN1 Q9GZT9 2/20 0.41
HPGDS O60760 2/20 0.41
WNT1 P04628 1/20 0.41
NUDT1 P36639 1/20 0.39
ACKR3 P25106 1/20 0.39
PDCD1 Q15116 1/20 0.39

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
SCHEMBL914725 0.93 TLR9 (0.44) TLR9GSK3BSLC2A1HTR7DYRK1A
SCHEMBL915139 0.93 HTR7 (0.46) TLR9GSK3BSLC2A1HTR7DYRK1A
SCHEMBL916126 0.92 GSK3B (0.42) TLR9GSK3BSLC2A1HTR7DYRK1A
SCHEMBL914581 0.91 GSK3B (0.42) TLR9GSK3BSLC2A1HTR7DYRK1A
SCHEMBL914166 0.88 DRD4 (0.44) SLC2A1HTR7DYRK1AHTR1AWNT1
SCHEMBL4403763 0.87 TLR9 (0.42) TLR9GSK3BHTR7DYRK1ACD274
SCHEMBL914477 0.85 HTR7 (0.42) HTR7DYRK1AHTR1AWNT1
SCHEMBL915080 0.84 BRD4 (0.49) DYRK1AHPGDSWNT1NUDT1
SCHEMBL6979880 0.83 SLC2A1 (0.39) TLR9GSK3BSLC2A1HTR7DYRK1A
SCHEMBL2762287 0.83 GPR119 (0.51) HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US claimed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 TLR9 179/4885GSK3B 3087/4885SLC2A1 820/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 TLR9 176/4885GSK3B 3089/4885SLC2A1 822/4885

“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.