SCHEMBL12469124

SCHEMBL12469124

O=C(Nc1ccncc1)c1cccc(N2CC[C@@H](NC[C@@H]3CCNC3)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
HSD11B1 P28845 2/20 0.38
FLT3 P36888 1/20 0.38
PRKCQ Q04759 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
USP30 Q70CQ3 2/20 0.35

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
SCHEMBL12468994 1.00 NAMPT (0.39) NAMPTHSD11B1FLT3PRKCQIRAK4
SCHEMBL12469060 0.95 FLT3 (0.42) HSD11B1FLT3PRKCQIRAK4MAPKAPK2
SCHEMBL12469347 0.83 HSD11B1 (0.42) HSD11B1PRKCQIRAK4
SCHEMBL12685434 0.83 HSD11B1 (0.41) HSD11B1PRKCQIRAK4CA12CA1
SCHEMBL12685439 0.83 HSD11B1 (0.41) HSD11B1PRKCQIRAK4CA12CA1
SCHEMBL12469102 0.83 HSD11B1 (0.41) HSD11B1PRKCQIRAK4CA12CA1
SCHEMBL30077102 0.78 IRAK4 (0.47) HSD11B1PRKCQIRAK4MAPKAPK2
SCHEMBL12685236 0.78 IRAK4 (0.47) HSD11B1PRKCQIRAK4MAPKAPK2
SCHEMBL12685279 0.76 PRKCQ (0.56) NAMPTHSD11B1PRKCQIRAK4
SCHEMBL12685134 0.75 IRAK4 (0.56) HSD11B1PRKCQIRAK4MAPKAPK2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
US-10155761-B2 CXCR4 receptor antagonists PROXIMAGEN, LLC (US) 2018-12-18 US disclosed
EP-2927224-B1 Receptor antagonists PROXIMAGEN LTD (GB) 2018-10-03 EP disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 US disclosed
EP-2927224-A1 Receptor antagonists Proximagen Limited (GB) 2015-10-07 EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 EP disclosed
US-20130289020-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2013-10-31 US disclosed
EP-2627649-A1 CXCR4 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-21 EP disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 WO disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 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 (6 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-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 NAMPT 1092/4885HSD11B1 1779/4885FLT3 209/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 NAMPT 1092/4885HSD11B1 1779/4885FLT3 209/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 NAMPT 571/4885HSD11B1 3351/4885FLT3 319/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 NAMPT 1092/4885HSD11B1 1779/4885FLT3 209/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 NAMPT 1092/4885HSD11B1 1779/4885FLT3 209/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 NAMPT 1092/4885HSD11B1 1779/4885FLT3 209/4885

“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.