SCHEMBL568384

SCHEMBL568384

Brc1cncc2c1cnn2C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.45
PDE1C Q14123 10/20 0.41
PDE1A P54750 8/20 0.41
PDE1B Q01064 8/20 0.41
PIK3CD O00329 1/20 0.40
PDE9A O76083 6/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 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
SCHEMBL567925 0.79 PDE9A (0.38) PDE9A
SCHEMBL566887 0.77 KDM4C (0.44) PDE4DPDE1CPDE1APDE1BPDE9A
SCHEMBL26121943 0.76 L3MBTL3 (0.36) PDE1BPDE9A
SCHEMBL23478138 0.75 ALDH1A1 (0.42) PDE1CPDE1APDE1BPDE9A
SCHEMBL30891904 0.75 ALDH1A1 (0.42) PDE1CPDE1APDE1BPDE9A
SCHEMBL30896400 0.75 PDE1C (0.46) PDE4DPDE1CPDE1APDE1BPIK3CD
SCHEMBL26654936 0.72 PDE1B (0.46) PDE4DPDE1CPDE1APDE1BPIK3CD
SCHEMBL17102310 0.71 LRRK2 (0.43) PDE4DPDE1CPDE1APDE1BPIK3CD
SCHEMBL26119864 0.70 GPR119 (0.51)
SCHEMBL30588468 0.70 GPR119 (0.51)

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 9 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-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
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-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
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 (3 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 PDE4D 1556/4885PDE1C 3227/4885PDE1A 1924/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 PDE4D 1556/4885PDE1C 3227/4885PDE1A 1924/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 PDE4D 1766/4885PDE1C 3378/4885PDE1A 2187/4885

“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.