SCHEMBL915080

SCHEMBL915080

COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCNCC4)cc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
ATAD2 Q6PL18 1/20 0.49
SMYD3 Q9H7B4 2/20 0.44
WNT1 P04628 2/20 0.44
DYRK1A Q13627 2/20 0.44
NUDT1 P36639 1/20 0.43
PLAT P00750 1/20 0.43
HPGDS O60760 1/20 0.42
HTR4 Q13639 1/20 0.41
PDPK1 O15530 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HASPIN Q8TF76 1/20 0.40
PTK2 Q05397 2/20 0.40
PARP1 P09874 1/20 0.39
ALOX5AP P20292 1/20 0.39
CHEK1 O14757 1/20 0.38

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
SCHEMBL915389 0.86 HTR4 (0.51) SMYD3WNT1DYRK1ANUDT1HPGDS
SCHEMBL915139 0.85 HTR7 (0.46) WNT1DYRK1ANUDT1HPGDSHTR4
SCHEMBL914725 0.84 TLR9 (0.44) WNT1DYRK1AHTR4
SCHEMBL914569 0.84 TLR9 (0.44) WNT1DYRK1ANUDT1HPGDS
SCHEMBL2762287 0.84 GPR119 (0.51) HPGDSCCNCCDK8HASPINPARP1
SCHEMBL5823101 0.83 BRD4 (0.38) BRD4ATAD2PLATCHEK1
SCHEMBL915087 0.82 RAB9A (0.45) SMYD3WNT1DYRK1ANUDT1HTR4
SCHEMBL914581 0.81 GSK3B (0.42) WNT1DYRK1AHPGDS
SCHEMBL916126 0.80 GSK3B (0.42) WNT1DYRK1AHPGDS
SCHEMBL2761944 0.79 TDO2 (0.50) BRD4

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 7 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-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
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 (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 BRD4 3280/4885ATAD2 4521/4885SMYD3 3615/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 BRD4 3253/4885ATAD2 4511/4885SMYD3 3572/4885

“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.