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SCHEMBL112584

SCHEMBL112584

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ KMT2A Q03164 1/20 0.44
▸ KIF18A Q8NI77 6/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SCN10A Q9Y5Y9 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
SCHEMBL112243 0.91 CXCR3 (0.57) CXCR3KCNH2KMT2AALDH1A1SMN1; SMN2
SCHEMBL113902 0.91 CXCR3 (0.53) CXCR3KCNH2KMT2AKIF18AALDH1A1
SCHEMBL111889 0.88 CXCR3 (0.67) CXCR3KCNH2KMT2AALDH1A1SMN1; SMN2
SCHEMBL114642 0.87 CXCR3 (0.58) CXCR3KCNH2KMT2AALDH1A1MAPK1
SCHEMBL111560 0.85 CXCR3 (0.56) CXCR3KCNH2KMT2AALDH1A1MAPK1
SCHEMBL110135 0.85 LMNA (0.60) CXCR3KCNH2KMT2ARXFP1ALDH1A1
SCHEMBL113557 0.85 CXCR3 (0.55) CXCR3KCNH2KMT2ARXFP1ALDH1A1
SCHEMBL110498 0.84 CXCR3 (0.59) CXCR3KCNH2KMT2AALDH1A1MAPK1
SCHEMBL111833 0.84 CXCR3 (0.61) CXCR3KCNH2KMT2AALDH1A1SMN1; SMN2
SCHEMBL110415 0.83 CXCR3 (0.58) CXCR3KCNH2KMT2AALDH1A1HTT

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 1384/4885KMT2A 3794/4885

“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.