SCHEMBL3739433

SCHEMBL3739433

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3cnc(NC4CC4)nc3)CC2)n1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.71
KCNH2 Q12809 1/20 0.71
ENPP2 Q13822 9/20 0.46
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
JUN P05412 1/20 0.40
MAPK10 P53779 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL3736608 0.91 CXCR3 (0.76) CXCR3KCNH2ENPP2ALDH1A1POLB
SCHEMBL3728993 0.88 CXCR3 (0.72) CXCR3KCNH2ENPP2ALDH1A1POLB
SCHEMBL3731490 0.88 CXCR3 (0.81) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL15911890 0.87 CXCR3 (0.70) CXCR3KCNH2ENPP2ALDH1A1LMNA
SCHEMBL3729064 0.86 CXCR3 (0.78) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3738243 0.85 CXCR3 (0.76) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3735480 0.85 CXCR3 (0.70) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3735474 0.85 CXCR3 (0.70) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3729022 0.84 CXCR3 (0.75) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3739391 0.84 CXCR3 (0.75) CXCR3KCNH2ALDH1A1LMNATP53

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-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
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 1/4885KCNH2 1561/4885ENPP2 131/4885

“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.