SCHEMBL2269616

SCHEMBL2269616

N#Cc1cnc(N2CCC(CC(=O)Nc3cccnc3)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.65
GPR6 P46095 9/20 0.48
USP30 Q70CQ3 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CSF1R P07333 1/20 0.43
BRAF P15056 2/20 0.42
NOTUM Q6P988 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL2271014 0.91 CXCR3 (0.55) CXCR3GPR6USP30KMT2AMEN1
SCHEMBL2221638 0.91 CXCR3 (0.78) CXCR3USP30KMT2AMEN1CSF1R
SCHEMBL14659129 0.86 CXCR3 (0.55) CXCR3GPR6KMT2AMEN1
SCHEMBL2264590 0.85 CXCR3 (0.53) CXCR3GPR6KMT2AMEN1
SCHEMBL2222549 0.82 CXCR3 (0.59) CXCR3KMT2AMEN1CSF1RBRAF
SCHEMBL2272677 0.82 CXCR3 (0.68) CXCR3USP30KMT2AMEN1BRAF
SCHEMBL2221970 0.82 CXCR3 (0.67) CXCR3USP30KMT2AMEN1MALT1
SCHEMBL2271128 0.82 CXCR3 (0.51) CXCR3GPR6KMT2AMEN1
SCHEMBL14659866 0.82 CXCR3 (0.51) CXCR3GPR6KMT2AMEN1
SCHEMBL2275285 0.81 CXCR3 (0.49) CXCR3GPR6USP30KMT2AMEN1

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 1/4885GPR6 137/4885USP30 4549/4885

“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.