SCHEMBL162957

SCHEMBL162957

COc1cc(NC(=O)c2cc(F)ccc2N2CCN(C(=O)Cn3c(=O)[nH]c4ccccc43)[C@H](C)C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.39
CHRM4 P08173 2/20 0.39
KIT P10721 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
ATAD2 Q6PL18 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
RPS6KA2 Q15349 1/20 0.36
HTR7 P34969 3/20 0.36
KCNH2 Q12809 1/20 0.36
PLD1 Q13393 1/20 0.35
HTR1A P08908 1/20 0.35
MAPT P10636 1/20 0.35
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL178005 1.00 CXCR3 (0.39) CXCR3CHRM4KITSCN10AATAD2
SCHEMBL13076713 0.90 MAPT (0.42) CXCR3SCN10ARPS6KA2HTR7KCNH2
SCHEMBL3728426 0.82 ADRA1D (0.40) CXCR3CHRM4KITSCN10ARPS6KA2
SCHEMBL3732702 0.82 ADRA1D (0.40) CXCR3CHRM4KITSCN10ARPS6KA2
SCHEMBL166052 0.82 THRB (0.40) CXCR3CHRM4KITSCN10AMAPT
SCHEMBL114027 0.82 THRB (0.40) CXCR3CHRM4KITSCN10AMAPT
SCHEMBL166234 0.81 CXCR3 (0.49) CXCR3KCNH2
SCHEMBL167726 0.81 CXCR3 (0.49) CXCR3KCNH2
SCHEMBL169565 0.80 CXCR3 (0.47) CXCR3KCNH2
SCHEMBL114550 0.80 CXCR3 (0.54) CXCR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP claimed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO claimed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US claimed
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
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 CXCR3 1/4885CHRM4 485/4885KIT 702/4885

“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.