SCHEMBL568664

SCHEMBL568664

CCC(O)c1ccnc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
AR P10275 3/20 0.36
KDM5B Q9UGL1 1/20 0.36
MAP4K1 Q92918 1/20 0.34
NFKB1 P19838 1/20 0.33
BLM P54132 3/20 0.33
PGR P06401 1/20 0.33
PMP22 Q01453 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
APEX1 P27695 2/20 0.32
RECQL P46063 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32

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
SCHEMBL31032208 1.00 LMNA (0.44) LMNAARKDM5BMAP4K1NFKB1
SCHEMBL1159033 0.83 BLM (0.48) LMNANFKB1BLMPMP22MAPT
SCHEMBL23376903 0.79 ALDH1A1 (0.41) LMNAARRXRAGRIN1GRIN2B
SCHEMBL23376847 0.79 ALDH1A1 (0.41) LMNAARRXRAGRIN1GRIN2B
SCHEMBL29867137 0.79 PLG (0.41) ARKDM5BCYP3A4MEN1KMT2A
SCHEMBL31032205 0.79 PLG (0.41) ARKDM5BCYP3A4MEN1KMT2A
SCHEMBL568609 0.79 PLG (0.41) ARKDM5BCYP3A4MEN1KMT2A
SCHEMBL21200276 0.79 PLG (0.41) ARKDM5BCYP3A4MEN1KMT2A
SCHEMBL28979886 0.78 IDO1 (0.35) ARKDM4EKDM1AHDAC1HDAC6
SCHEMBL3465008 0.78 ROCK1 (0.39) ARRXRAGRIN1GRIN2BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 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-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-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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-1592419-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION Merck Frosst Canada & Co. (CA) 2005-11-09 EP disclosed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LMNA 4848/4885AR 1940/4885KDM5B 1212/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LMNA 4848/4885AR 1940/4885KDM5B 1212/4885
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 LMNA 3888/4885AR 32/4885KDM5B 3939/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 LMNA 3632/4885AR 4299/4885KDM5B 3531/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LMNA 4838/4885AR 1887/4885KDM5B 1232/4885

“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.