SCHEMBL12469347

SCHEMBL12469347

O=C(Nc1ccncc1)c1cccc(N2CC[C@@H](NCC3CCN(C4CCCC4)CC3)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.42
OGFRL1 Q5TC84 1/20 0.39
KDR P35968 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PRKCQ Q04759 1/20 0.38
S1PR1 P21453 2/20 0.38
ALDH1A1 P00352 2/20 0.36
JAK2 O60674 1/20 0.36
CYP3A4 P08684 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
STAT3 P40763 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P2RX7 Q99572 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
PTPN11 Q06124 1/20 0.36
HTR4 Q13639 1/20 0.36

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
SCHEMBL12685439 0.96 HSD11B1 (0.41) HSD11B1OGFRL1KDRHRH3PRKCQ
SCHEMBL12685434 0.96 HSD11B1 (0.41) HSD11B1OGFRL1KDRHRH3PRKCQ
SCHEMBL12469102 0.96 HSD11B1 (0.41) HSD11B1OGFRL1KDRHRH3PRKCQ
SCHEMBL12469060 0.87 FLT3 (0.42) HSD11B1PRKCQJAK2CYP3A4JAK1
SCHEMBL12468994 0.83 NAMPT (0.39) HSD11B1PRKCQIRAK4
SCHEMBL12469124 0.83 NAMPT (0.39) HSD11B1PRKCQIRAK4
SCHEMBL30077118 0.80 HSD11B1 (0.50) HSD11B1KDRHRH3ALDH1A1JAK2
SCHEMBL15347563 0.80 HSD11B1 (0.50) HSD11B1KDRHRH3ALDH1A1JAK2
SCHEMBL17523590 0.78 PTPN11 (0.44) HSD11B1KDRHRH3S1PR1ALDH1A1
SCHEMBL17523599 0.77 HSD11B1 (0.47) HSD11B1KDRHRH3ALDH1A1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 EP claimed
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-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
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 HSD11B1 1779/4885OGFRL1 152/4885KDR 105/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885OGFRL1 152/4885KDR 105/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 HSD11B1 3351/4885OGFRL1 84/4885KDR 95/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885OGFRL1 152/4885KDR 105/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885OGFRL1 152/4885KDR 105/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885OGFRL1 152/4885KDR 105/4885

“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.