SCHEMBL568649

SCHEMBL568649

[2H]C([2H])([2H])C(=O)c1ccnc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AR P10275 5/20 0.39
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
KDM4C Q9H3R0 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM5C P41229 3/20 0.36
KDM6B O15054 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
KDM3A Q9Y4C1 2/20 0.36
KDM4A O75164 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
TET3 O43151 1/20 0.36
BBOX1 O75936 1/20 0.36
MAPT P10636 1/20 0.36
KDM5A P29375 1/20 0.36
ASPH Q12797 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
SCHEMBL30595888 0.86 KDM1A (0.44) KDM1AHDAC1HDAC6ARCA12
SCHEMBL220172 0.86 KDM1A (0.44) KDM1AHDAC1HDAC6ARCA12
Bromide SCHEMBL6203968 0.85 KDM1A (0.42) KDM1AHDAC1HDAC6ARCA12
SCHEMBL28786825 0.78 LMNA (0.47) KDM1AHDAC1HDAC6ARCA12
SCHEMBL3466269 0.78 IDO1 (0.38) KDM1AHDAC1HDAC6ARCA12
SCHEMBL40395 0.76 KDM4C (0.61) KDM1AHDAC1HDAC6KDM4CKDM4E
SCHEMBL30527973 0.76 KDM4C (0.61) KDM1AHDAC1HDAC6KDM4CKDM4E
SCHEMBL3127472 0.75 PARP1 (0.48) KDM1AHDAC1HDAC6KDM4CKDM4E
SCHEMBL1137138 0.75 KDM1A (0.44) KDM1AHDAC1HDAC6ARCA12
SCHEMBL31026889 0.75 PARP1 (0.48) KDM1AHDAC1HDAC6KDM4CKDM4E

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-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
EP-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (4 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM1A 597/4885HDAC1 66/4885HDAC6 233/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM1A 597/4885HDAC1 66/4885HDAC6 233/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 KDM1A 3501/4885HDAC1 872/4885HDAC6 1464/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM1A 573/4885HDAC1 70/4885HDAC6 226/4885

“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.