SCHEMBL2279689

SCHEMBL2279689

O=C(Nc1cc(Cl)cnc1N1CCC(CCCN2CCCCC2)CC1)c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.65
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KCNH2 Q12809 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
AURKA O14965 2/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
F10 P00742 1/20 0.40
HRH3 Q9Y5N1 3/20 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
SCHEMBL2268257 0.95 CXCR3 (0.70) CXCR3MEN1KMT2AKCNH2CACNA1I
SCHEMBL2267308 0.95 CXCR3 (0.70) CXCR3MEN1KMT2AKCNH2CACNA1I
SCHEMBL2273229 0.89 CXCR3 (0.67) CXCR3MEN1KMT2AAURKAJAK2
SCHEMBL2269016 0.88 CXCR3 (0.70) CXCR3MEN1KMT2AKCNH2CACNA1I
SCHEMBL2269200 0.88 CXCR3 (0.69) CXCR3MEN1KMT2AKCNH2CACNA1I
SCHEMBL2272173 0.87 CXCR3 (0.65) CXCR3MEN1KMT2AKCNH2CACNA1I
SCHEMBL2223246 0.87 CXCR3 (0.56) CXCR3MEN1KMT2AAURKAJAK2
SCHEMBL16448961 0.87 CXCR3 (0.60) CXCR3MEN1KMT2AKCNH2CACNA1I
SCHEMBL2221581 0.87 CXCR3 (0.60) CXCR3MEN1KMT2AKCNH2CACNA1I
SCHEMBL2266456 0.87 CXCR3 (0.60) CXCR3MEN1KMT2AKCNH2CACNA1I

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
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-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
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 1/4885MEN1 3640/4885KMT2A 3936/4885

“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.