SCHEMBL110641

SCHEMBL110641

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.64
KCNH2 Q12809 1/20 0.64
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DGAT1 O75907 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 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
SCHEMBL111491 0.90 CXCR3 (0.61) CXCR3KCNH2TSHRALDH1A1GAA
SCHEMBL111889 0.89 CXCR3 (0.67) CXCR3KCNH2TSHRALDH1A1GAA
SCHEMBL111164 0.89 CXCR3 (0.59) CXCR3KCNH2TSHRALDH1A1GAA
SCHEMBL3113104 0.87 CXCR3 (0.55) CXCR3KCNH2TSHRALDH1A1GAA
SCHEMBL112255 0.87 CXCR3 (0.55) CXCR3KCNH2TSHRSMN1; SMN2HSD17B10
SCHEMBL114797 0.87 CXCR3 (0.57) CXCR3KCNH2TSHRALDH1A1GAA
SCHEMBL111873 0.86 CXCR3 (0.56) CXCR3KCNH2TSHRALDH1A1GAA
SCHEMBL13075874 0.86 CXCR3 (0.56) CXCR3KCNH2TSHRALDH1A1GAA
SCHEMBL112603 0.86 CXCR3 (0.56) CXCR3KCNH2TSHRALDH1A1MAPT
SCHEMBL109996 0.85 CXCR3 (0.55) CXCR3KCNH2TSHRALDH1A1GAA

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 1384/4885TSHR 543/4885

“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.