SCHEMBL914558

SCHEMBL914558

Cc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43
DRD4 P21917 2/20 0.41
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT3 P36888 1/20 0.41
MEN1 O00255 1/20 0.41
RAD52 P43351 1/20 0.41
PARP1 P09874 1/20 0.40
RHEB Q15382 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR4 Q13639 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
SCHEMBL13593441 0.92 KDM4E (0.45) KDM4EHSD17B10WNT1DYRK1AHTR7
SCHEMBL914193 0.92 HTR7 (0.49) KDM4EHSD17B10WNT1DYRK1ADRD4
SCHEMBL914333 0.90 KDM4E (0.43) KDM4EHSD17B10WNT1DYRK1AHTR7
SCHEMBL914740 0.90 KDM4E (0.49) KDM4EHSD17B10DYRK1ADRD4HTR7
SCHEMBL914346 0.89 KDM4E (0.45) KDM4EHSD17B10WNT1DYRK1ARHEB
SCHEMBL916260 0.89 ALDH1A1 (0.45) KDM4EHSD17B10HTR7HTR1AKMT2A
SCHEMBL913726 0.89 ALDH1A1 (0.45) KDM4EHSD17B10HTR7HTR1AKMT2A
SCHEMBL915145 0.88 MTTP (0.44) KDM4EHSD17B10WNT1DYRK1ADRD4
SCHEMBL913724 0.87 TLR7 (0.50) DYRK1AKMT2ARAD52HTR4
SCHEMBL13593468 0.86 WNT1 (0.44) KDM4EHSD17B10WNT1DYRK1ADRD4

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 KDM4E 4266/4885HSD17B10 2416/4885WNT1 3210/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885HSD17B10 2378/4885WNT1 3176/4885

“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.