SCHEMBL2272677

SCHEMBL2272677

O=C(CC1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1)Nc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.68
EPHX2 P34913 1/20 0.43
SLC2A1 P11166 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
F10 P00742 2/20 0.42
USP30 Q70CQ3 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
BRAF P15056 1/20 0.41
IDO1 P14902 1/20 0.40
GRM5 P41594 1/20 0.40
DEGS1 O15121 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
JAK2 O60674 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
SCHEMBL2221970 0.93 CXCR3 (0.67) CXCR3EPHX2NPC1RAB9AUSP30
SCHEMBL2221638 0.92 CXCR3 (0.78) CXCR3EPHX2USP30MEN1KMT2A
SCHEMBL2223502 0.90 CXCR3 (0.56) CXCR3EPHX2SLC2A1NPC1RAB9A
SCHEMBL2223650 0.87 CXCR3 (0.85) CXCR3SLC2A1NPC1RAB9AF10
SCHEMBL12516581 0.86 CXCR3 (0.67) CXCR3NPC1RAB9AMEN1KMT2A
SCHEMBL2271834 0.86 CXCR3 (0.60) CXCR3EPHX2NPC1RAB9AMEN1
SCHEMBL2266970 0.85 CXCR3 (0.64) CXCR3MEN1KMT2AKCNQ3KCNQ2
SCHEMBL2267018 0.84 CXCR3 (0.68) CXCR3NPC1RAB9AMEN1KMT2A
SCHEMBL12515722 0.83 CXCR3 (0.72) CXCR3NPC1RAB9AMEN1KMT2A
SCHEMBL2267498 0.83 CXCR3 (0.72) CXCR3SLC2A1NPC1RAB9AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885EPHX2 591/4885SLC2A1 1392/4885

“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.