SCHEMBL111887

SCHEMBL111887

Cc1cc(C)n(CC(=O)N2CCN(c3ncc(Cl)cc3NC(=O)c3ccncc3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.45
KCNH2 Q12809 1/20 0.45
NAMPT P43490 1/20 0.41
RAB9A P51151 1/20 0.40
KCNMA1 Q12791 1/20 0.39
GRM5 P41594 1/20 0.38
SLC2A1 P11166 1/20 0.38
USP2 O75604 2/20 0.38
CRHR1 P34998 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR1 P32246 1/20 0.37
CHUK O15111 1/20 0.37
ICOSLG O75144 1/20 0.37

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
SCHEMBL159697 0.91 CXCR3 (0.49) CXCR3KCNH2RAB9AKCNMA1GRM5
SCHEMBL111496 0.89 CXCR3 (0.54) CXCR3KCNH2RAB9AUSP2LMNA
SCHEMBL111947 0.88 CCR1 (0.43) CXCR3KCNH2RAB9AUSP2SMN1; SMN2
SCHEMBL160426 0.86 CXCR3 (0.51) CXCR3KCNH2LMNA
SCHEMBL113666 0.85 CXCR3 (0.45) CXCR3KCNH2RAB9AUSP2SMN1; SMN2
SCHEMBL113733 0.85 POLB (0.48) CXCR3KCNH2SMN1; SMN2LMNAMEN1
SCHEMBL111489 0.85 CXCR3 (0.45) CXCR3KCNH2GRM5LMNA
SCHEMBL112537 0.81 CXCR3 (0.61) CXCR3KCNH2USP2SMN1; SMN2LMNA
SCHEMBL110411 0.80 CXCR3 (0.50) CXCR3KCNH2RAB9ALMNATSHR
SCHEMBL3102758 0.79 CXCR3 (0.51) CXCR3KCNH2RAB9ACRHR1SMN1; SMN2

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 1384/4885NAMPT 1460/4885

“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.