SCHEMBL12468912

SCHEMBL12468912

O=C(Nc1ccncc1)c1cccc(Br)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
GRM5 P41594 1/20 0.56
JAK2 O60674 6/20 0.55
TYK2 P29597 6/20 0.55
JAK1 P23458 4/20 0.55
CYP3A4 P08684 1/20 0.55
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
NOD2 Q9HC29 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL20189793 0.84 POLB (0.62) POLBGRM5CYP3A4KDM4EL3MBTL1
SCHEMBL26872446 0.83 CYP11B2 (0.58) POLBGRM5KDM4EL3MBTL1NPC1
SCHEMBL20766926 0.83 MAPT (0.65) POLBGRM5CYP3A4KDM4EL3MBTL1
SCHEMBL20189462 0.83 POLB (0.56) POLBGRM5CYP3A4KDM4EL3MBTL1
SCHEMBL3831832 0.82 JAK2 (0.61) POLBJAK2TYK2JAK1CYP3A4
SCHEMBL30077014 0.82 JAK2 (0.61) POLBJAK2TYK2JAK1CYP3A4
SCHEMBL17152729 0.82 SMN1; SMN2 (0.56) POLBGRM5NPC1RAB9ALMNA
SCHEMBL20206201 0.81 POLB (0.58) POLBGRM5CYP3A4KDM4EL3MBTL1
SCHEMBL24021474 0.80 MAPT (0.56) POLBGRM5TYK2CYP3A4KDM4E
SCHEMBL20206158 0.80 POLB (0.53) POLBGRM5CYP3A4KDM4EL3MBTL1

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 22 patents — showing the first 20. 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-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
CN-103282360-A Cxcr4 receptor antagonists PROXIMAGEN LTD 2013-09-04 CN 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 POLB 4392/4885GRM5 486/4885JAK2 617/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885GRM5 486/4885JAK2 617/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 POLB 4285/4885GRM5 396/4885JAK2 930/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885GRM5 486/4885JAK2 617/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885GRM5 486/4885JAK2 617/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885GRM5 486/4885JAK2 617/4885

“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.