SCHEMBL2762287

SCHEMBL2762287

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.51
PIK3CD O00329 1/20 0.51
PARP1 P09874 3/20 0.49
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
HASPIN Q8TF76 1/20 0.48
USP30 Q70CQ3 3/20 0.47
PIK3CA P42336 3/20 0.45
MMP13 P45452 1/20 0.44
TBK1 Q9UHD2 1/20 0.43
HDAC4 P56524 1/20 0.42
MAPT P10636 1/20 0.41
HPGDS O60760 1/20 0.41

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
SCHEMBL915080 0.84 BRD4 (0.49) PARP1CCNCCDK8HASPINHPGDS
SCHEMBL915139 0.84 HTR7 (0.46) HPGDS
SCHEMBL914725 0.83 TLR9 (0.44)
SCHEMBL914569 0.83 TLR9 (0.44) HPGDS
SCHEMBL914581 0.81 GSK3B (0.42) USP30HPGDS
SCHEMBL914286 0.80 PARP1 (0.54) PARP1CCNCCDK8HASPINUSP30
SCHEMBL916126 0.79 GSK3B (0.42) PIK3CAHPGDS
SCHEMBL914089 0.77 SLC2A1 (0.43) PARP1
SCHEMBL914050 0.76 PARP1 (0.51) PARP1CCNCCDK8HASPINUSP30
SCHEMBL6979880 0.75 SLC2A1 (0.39) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 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
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO 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-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 GPR119 59/4885PIK3CD 4175/4885PARP1 3011/4885

“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.