SCHEMBL2223650

SCHEMBL2223650

O=C(Nc1cc(Cl)cnc1N1CCC(CCNc2ccncc2)CC1)c1cccc(Cl)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.85
SLC2A1 P11166 1/20 0.46
ACHE P22303 1/20 0.42
GSK3B P49841 1/20 0.42
GRM5 P41594 1/20 0.41
F10 P00742 3/20 0.41
GPR6 P46095 1/20 0.41
CRHR1 P34998 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
BRAF P15056 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
HDAC1 Q13547 1/20 0.40
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL2222976 0.92 CXCR3 (1.00) CXCR3SLC2A1ACHEGSK3BGRM5
SCHEMBL2272677 0.87 CXCR3 (0.68) CXCR3SLC2A1GRM5F10MEN1
SCHEMBL2267498 0.86 CXCR3 (0.72) CXCR3SLC2A1ACHEGSK3BMEN1
SCHEMBL12515722 0.86 CXCR3 (0.72) CXCR3GPR6MEN1KMT2AKCNQ3
SCHEMBL16448959 0.85 CXCR3 (0.87) CXCR3ACHEGSK3BGPR6KMT2A
SCHEMBL14669316 0.84 CXCR3 (0.71) CXCR3ACHEGSK3BMEN1KMT2A
SCHEMBL2269016 0.84 CXCR3 (0.70) CXCR3MEN1KMT2AKCNQ3KCNQ2
SCHEMBL2268257 0.83 CXCR3 (0.70) CXCR3MEN1KMT2AKCNQ3KCNQ2
SCHEMBL2267308 0.83 CXCR3 (0.70) CXCR3MEN1KMT2AKCNQ3KCNQ2
SCHEMBL2269200 0.83 CXCR3 (0.69) CXCR3MEN1KMT2AKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 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 (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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885SLC2A1 1392/4885ACHE 4637/4885

“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.