SCHEMBL2272173

SCHEMBL2272173

CN1CCCN(CCC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.65
SLC2A1 P11166 1/20 0.48
KCNH2 Q12809 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
WDR5 P61964 1/20 0.43
F10 P00742 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41
AURKA O14965 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2269089 0.97 CXCR3 (0.69) CXCR3SLC2A1KCNH2CACNA1IWDR5
SCHEMBL2270782 0.93 CXCR3 (0.61) CXCR3SLC2A1KCNH2CACNA1IWDR5
SCHEMBL2268257 0.92 CXCR3 (0.70) CXCR3KCNH2CACNA1IKMT2AMEN1
SCHEMBL2267308 0.92 CXCR3 (0.70) CXCR3KCNH2CACNA1IKMT2AMEN1
SCHEMBL2272915 0.91 CXCR3 (0.54) CXCR3SLC2A1KCNH2CACNA1IWDR5
SCHEMBL2270229 0.90 CXCR3 (0.63) CXCR3SLC2A1KCNH2CACNA1IKMT2A
SCHEMBL2221700 0.89 CXCR3 (0.68) CXCR3KCNH2CACNA1IKMT2AMEN1
SCHEMBL12515715 0.88 CXCR3 (0.67) CXCR3KCNH2CACNA1IWDR5KMT2A
SCHEMBL2271450 0.88 CXCR3 (0.69) CXCR3KCNH2CACNA1IF10KMT2A
SCHEMBL2279434 0.88 CXCR3 (0.64) CXCR3KCNH2CACNA1IWDR5KMT2A

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 8 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
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 1/4885SLC2A1 1392/4885KCNH2 1587/4885

“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.