SCHEMBL112123

SCHEMBL112123

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccc4oc(C)nc4c3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.53
KCNH2 Q12809 1/20 0.53
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 4/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 4/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
F10 P00742 1/20 0.41

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 0.84 CXCR3 (0.67) CXCR3KCNH2HSD17B10SMN1; SMN2KMT2A
SCHEMBL112547 0.83 CXCR3 (0.54) CXCR3KCNH2KDM4ERAB9AMEN1
SCHEMBL113241 0.82 CXCR3 (0.53) CXCR3KCNH2KDM4EHSD17B10HPGD
SCHEMBL111164 0.82 CXCR3 (0.59) CXCR3KCNH2HSD17B10HPGDSMN1; SMN2
SCHEMBL110498 0.82 CXCR3 (0.59) CXCR3KCNH2HSD17B10HPGDSMN1; SMN2
SCHEMBL111833 0.82 CXCR3 (0.61) CXCR3KCNH2HSD17B10SMN1; SMN2KMT2A
SCHEMBL112597 0.81 CXCR3 (0.58) CXCR3KCNH2HSD17B10SMN1; SMN2KMT2A
SCHEMBL114642 0.81 CXCR3 (0.58) CXCR3KCNH2KDM4EHSD17B10HPGD
SCHEMBL112499 0.81 CXCR3 (0.54) CXCR3KCNH2KMT2AIRAK4ALDH1A1
SCHEMBL112255 0.81 CXCR3 (0.55) CXCR3KCNH2KDM4EHSD17B10RAB9A

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 1384/4885KDM4E 3738/4885

“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.