SCHEMBL12469751

SCHEMBL12469751

O=C(Nc1ccncc1)c1cccc(N2CCC3CCCC(C2)N3)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
TYK2 P29597 4/20 0.40
CYP3A4 P08684 1/20 0.40
PRKCQ Q04759 2/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
POLB P06746 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
HTT P42858 2/20 0.38
NOD2 Q9HC29 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
KLF5 Q13887 1/20 0.37

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
SCHEMBL12685279 0.82 PRKCQ (0.56) HSD11B1JAK2JAK1TYK2CYP3A4
SCHEMBL12469825 0.80 HSD11B1 (0.44) HSD11B1
SCHEMBL30077079 0.79 IRAK4 (0.56) HSD11B1JAK2JAK1TYK2CYP3A4
SCHEMBL12685134 0.79 IRAK4 (0.56) HSD11B1JAK2JAK1TYK2CYP3A4
SCHEMBL30077124 0.78 PRKCQ (0.55) HSD11B1PRKCQIRAK4POLBMAPKAPK2
SCHEMBL15347412 0.78 PRKCQ (0.55) HSD11B1PRKCQIRAK4POLBMAPKAPK2
SCHEMBL12469060 0.77 FLT3 (0.42) HSD11B1JAK2JAK1TYK2CYP3A4
SCHEMBL15347514 0.77 HSD11B1 (0.55) HSD11B1JAK2JAK1TYK2CYP3A4
SCHEMBL12685236 0.76 IRAK4 (0.47) HSD11B1JAK2JAK1TYK2CYP3A4
SCHEMBL30077102 0.76 IRAK4 (0.47) HSD11B1JAK2JAK1TYK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (5 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 1779/4885JAK2 617/4885JAK1 3400/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 HSD11B1 3351/4885JAK2 930/4885JAK1 4420/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885JAK2 617/4885JAK1 3400/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885JAK2 617/4885JAK1 3400/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885JAK2 617/4885JAK1 3400/4885

“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.