SCHEMBL166774

SCHEMBL166774

COc1ncc(-c2ccccc2N2CCN(C(=O)Cn3ccc4c(C#N)ccnc43)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
CXCR3 P49682 4/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 3/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR7 P34969 2/20 0.36
GRIN2B Q13224 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
SCHEMBL13077015 0.88 CXCR3 (0.41) THRBCXCR3KCNH2L3MBTL1MAPT
SCHEMBL115528 0.83 CXCR3 (0.52) CXCR3KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL114668 0.83 CXCR3 (0.41) CXCR3KCNH2L3MBTL1MAPTPOLB
SCHEMBL3731245 0.81 GRIN2B (0.41) CXCR3KCNH2L3MBTL1MAPTKDM4E
SCHEMBL115433 0.79 MAPT (0.47) CXCR3KCNH2L3MBTL1MAPTPOLB
SCHEMBL3730944 0.78 CXCR3 (0.43) THRBCXCR3KCNH2L3MBTL1MAPT
SCHEMBL116261 0.78 CXCR3 (0.63) CXCR3L3MBTL1
SCHEMBL114806 0.78 CXCR3 (0.44) CXCR3KCNH2
SCHEMBL3743174 0.78 MAPT (0.43) CXCR3KCNH2L3MBTL1MAPTPOLB
SCHEMBL3730469 0.78 MAPT (0.43) CXCR3KCNH2L3MBTL1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US 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 (1 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 THRB 1510/4885CXCR3 1/4885KCNH2 1561/4885

“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.