SCHEMBL6963683

SCHEMBL6963683

Cc1nc(COc2cccc3[nH]c(C(=O)NC4CCN(C[C@@H]5CCCN6CCCC[C@H]56)CC4)cc23)cs1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SYK P43405 1/20 0.34
RAB9A P51151 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
RHEB Q15382 1/20 0.34
SLC2A1 P11166 1/20 0.33
DYRK1A Q13627 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
DNM1L O00429 1/20 0.33

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
SCHEMBL4403760 0.89 L3MBTL1 (0.34) KMT2AL3MBTL1ALDH1A1PARP1PARP2
SCHEMBL6963676 0.83 KMT2A (0.41) KMT2AALDH1A1RAB9APARP1RHEB
SCHEMBL914813 0.83 ALDH1A1 (0.41) KMT2AALDH1A1SYKPARP1PARP2
SCHEMBL914948 0.82 KMT2A (0.39) KMT2AALDH1A1SYKRAB9ARHEB
SCHEMBL914802 0.81 SMYD3 (0.43) KMT2ARAB9APARP1
SCHEMBL13593435 0.81 KMT2A (0.41) KMT2AALDH1A1RAB9ARHEBUSP2
SCHEMBL913781 0.81 KMT2A (0.41) KMT2AALDH1A1RAB9ARHEBUSP2
SCHEMBL12971781 0.81 KMT2A (0.37) KMT2AALDH1A1RAB9ARHEBMEN1
Hydrochloric Acid SCHEMBL913972 0.81 KMT2A (0.36) KMT2AALDH1A1RHEBMEN1
SCHEMBL914662 0.80 PARP1 (0.48) L3MBTL1PARP1LMNA

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
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 KMT2A 4109/4885L3MBTL1 3450/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885L3MBTL1 3433/4885ALDH1A1 1732/4885

“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.