Sugi Predict

Sugi Predict / Compounds / SCHEMBL112669

SCHEMBL112669

SCHEMBL112669

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3nc4ccccc4s3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 3/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ PRNP P04156 1/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.48
▸ HCAR1 Q9BXC0 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ MAPT P10636 5/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL113279 0.91 CXCR3 (0.51) CXCR3KCNH2NPC1RAB9AALDH1A1
SCHEMBL113101 0.90 KMT2A (0.56) CXCR3KCNH2NPC1RAB9AALDH1A1
SCHEMBL111758 0.89 RAB9A (0.54) CXCR3KCNH2NPC1RAB9AALDH1A1
SCHEMBL110697 0.88 CXCR3 (0.51) CXCR3KCNH2ALDH1A1KDM4EHPGD
SCHEMBL113280 0.86 CXCR3 (0.54) CXCR3KCNH2NPC1RAB9AALDH1A1
SCHEMBL111883 0.85 CXCR3 (0.58) CXCR3KCNH2NPC1RAB9AALDH1A1
SCHEMBL111828 0.84 CXCR3 (0.57) CXCR3KCNH2NPC1RAB9AALDH1A1
SCHEMBL113241 0.84 CXCR3 (0.53) CXCR3KCNH2NPC1RAB9AALDH1A1
SCHEMBL112973 0.84 CXCR3 (0.53) CXCR3KCNH2NPC1RAB9AALDH1A1
SCHEMBL113651 0.83 CXCR3 (0.51) CXCR3KCNH2NPC1RAB9AALDH1A1

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 10 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
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 1384/4885NPC1 719/4885

“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.