SCHEMBL914725

SCHEMBL914725

COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

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 1/20 0.42
ACKR3 P25106 1/20 0.42
HTR4 Q13639 1/20 0.42
HTR1A P08908 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
WNT1 P04628 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL914569 0.93 TLR9 (0.44) TLR9GSK3BSLC2A1HTR7DYRK1A
SCHEMBL915139 0.93 HTR7 (0.46) TLR9GSK3BSLC2A1HTR7DYRK1A
SCHEMBL914581 0.89 GSK3B (0.42) TLR9GSK3BSLC2A1HTR7DYRK1A
SCHEMBL916126 0.89 GSK3B (0.42) TLR9GSK3BSLC2A1HTR7DYRK1A
SCHEMBL914740 0.88 KDM4E (0.49) HTR7DYRK1AHTR4HTR1AKDM4E
SCHEMBL4396957 0.87 TLR9 (0.42) TLR9GSK3BHTR7DYRK1ACD274
SCHEMBL913724 0.87 TLR7 (0.50) TLR9DYRK1AHTR4KMT2A
SCHEMBL914558 0.85 KDM4E (0.45) HTR7DYRK1AHTR4HTR1AWNT1
SCHEMBL913726 0.85 ALDH1A1 (0.45) HTR7HTR1AKDM4EHSD17B10BMPR1B
SCHEMBL916260 0.85 ALDH1A1 (0.45) HTR7HTR1AKDM4EHSD17B10BMPR1B

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.