Sugi Predict

Sugi Predict / Compounds / SCHEMBL915180

SCHEMBL915180

SCHEMBL915180

CCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(C[C@H](C)N5CCC(O)CC5)CC4)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.40
▸ WNT1 P04628 3/20 0.40
▸ SLC2A1 P11166 2/20 0.40
▸ TLR9 Q9NR96 2/20 0.40
▸ TLR8 Q9NR97 2/20 0.40
▸ TLR7 Q9NYK1 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ PARP1 P09874 1/20 0.37

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
SCHEMBL916108 0.92 TLR9 (0.44) DYRK1AWNT1SLC2A1TLR9TLR8
SCHEMBL914477 0.90 HTR7 (0.42) DYRK1AWNT1POLBDUSP3PTPN5
SCHEMBL4403425 0.88 DYRK1A (0.37) DYRK1AWNT1SLC2A1TLR9TLR8
SCHEMBL916260 0.83 ALDH1A1 (0.45) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL913726 0.83 ALDH1A1 (0.45) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL914856 0.82 KMT2A (0.43) SLC2A1TLR9TLR8TLR7POLB
SCHEMBL914166 0.81 DRD4 (0.44) DYRK1AWNT1SLC2A1POLBKMT2A
SCHEMBL913866 0.81 KMT2A (0.42) SLC2A1TLR9TLR8TLR7POLB
SCHEMBL4541737 0.80 SLC2A1 (0.39) DYRK1AWNT1SLC2A1TLR9TLR8
SCHEMBL915087 0.80 RAB9A (0.45) DYRK1AWNT1POLBDUSP3PTPN5

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 DYRK1A 2111/4885WNT1 3210/4885SLC2A1 820/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 DYRK1A 2157/4885WNT1 3176/4885SLC2A1 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.