SCHEMBL113557

SCHEMBL113557

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cccc(C#N)c3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.55
KCNH2 Q12809 1/20 0.55
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
TSHR P16473 2/20 0.40
GRM4 Q14833 1/20 0.40
RECQL P46063 1/20 0.40
P2RY12 Q9H244 1/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL111889 0.88 CXCR3 (0.67) CXCR3KCNH2MAPTKMT2ASMN1; SMN2
SCHEMBL114642 0.87 CXCR3 (0.58) CXCR3KCNH2HTTMAPK1MAPT
SCHEMBL111560 0.85 CXCR3 (0.56) CXCR3KCNH2MAPK1MAPTKMT2A
SCHEMBL111162 0.85 CXCR3 (0.54) CXCR3KCNH2HTTMAPK1MAPT
SCHEMBL110135 0.85 LMNA (0.60) CXCR3KCNH2HTTMAPTKMT2A
SCHEMBL112584 0.85 CXCR3 (0.55) CXCR3KCNH2HTTMAPK1KMT2A
SCHEMBL110498 0.84 CXCR3 (0.59) CXCR3KCNH2MAPK1MAPTKMT2A
SCHEMBL111833 0.84 CXCR3 (0.61) CXCR3KCNH2MAPTKMT2ASMN1; SMN2
SCHEMBL110415 0.83 CXCR3 (0.58) CXCR3KCNH2HTTKMT2ASMN1; SMN2
SCHEMBL111356 0.83 CXCR3 (0.53) CXCR3KCNH2MAPK1MAPTLMNA

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 1384/4885HTT 4213/4885

“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.