SCHEMBL112499

SCHEMBL112499

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccc4cnccc4c3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.54
KCNH2 Q12809 1/20 0.54
PRMT3 O60678 6/20 0.45
NAMPT P43490 1/20 0.44
BLK P51451 1/20 0.43
BTK Q06187 1/20 0.43
IMPDH2 P12268 4/20 0.41
NOTUM Q6P988 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL111833 0.88 CXCR3 (0.61) CXCR3KCNH2NAMPTTRPV1KMT2A
SCHEMBL110415 0.87 CXCR3 (0.58) CXCR3KCNH2NAMPTTRPV1KMT2A
SCHEMBL112547 0.85 CXCR3 (0.54) CXCR3KCNH2NOTUMIRAK4TRPV1
SCHEMBL111889 0.85 CXCR3 (0.67) CXCR3KCNH2KMT2AALDH1A1
SCHEMBL110498 0.85 CXCR3 (0.59) CXCR3KCNH2KMT2AALDH1A1
SCHEMBL111164 0.85 CXCR3 (0.59) CXCR3KCNH2IRAK4KMT2AALDH1A1
SCHEMBL111619 0.84 CXCR3 (0.58) CXCR3KCNH2NAMPTKMT2AALDH1A1
SCHEMBL112597 0.84 CXCR3 (0.58) CXCR3KCNH2NAMPTIRAK4KMT2A
SCHEMBL111058 0.83 CXCR3 (0.55) CXCR3KCNH2NAMPTKMT2AALDH1A1
SCHEMBL112255 0.83 CXCR3 (0.55) CXCR3KCNH2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1384/4885PRMT3 1773/4885

“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.