SCHEMBL110975

SCHEMBL110975

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccnc(Cl)c3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.56
KCNH2 Q12809 1/20 0.56
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 4/20 0.41
USP2 O75604 3/20 0.41
TP53 P04637 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 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
SCHEMBL110498 0.92 CXCR3 (0.59) CXCR3KCNH2ALDH1A1MAPK1USP2
SCHEMBL110977 0.90 CXCR3 (0.56) CXCR3KCNH2ALDH1A1MAPK1USP2
SCHEMBL13106374 0.89 CXCR3 (0.55) CXCR3KCNH2ALDH1A1MAPK1USP2
SCHEMBL111833 0.88 CXCR3 (0.61) CXCR3KCNH2ALDH1A1TSHRMAPT
SCHEMBL111473 0.88 CXCR3 (0.54) CXCR3KCNH2ALDH1A1TP53TSHR
SCHEMBL112047 0.88 CXCR3 (0.54) CXCR3KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL112603 0.88 CXCR3 (0.56) CXCR3KCNH2ALDH1A1MAPK1USP2
SCHEMBL114642 0.88 CXCR3 (0.58) CXCR3KCNH2ALDH1A1MAPK1USP2
SCHEMBL113486 0.87 CXCR3 (0.54) CXCR3KCNH2ALDH1A1TP53TSHR
SCHEMBL112162 0.87 CXCR3 (0.54) CXCR3KCNH2ALDH1A1LMNA

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 1384/4885ALDH1A1 1720/4885

“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.