SCHEMBL1638686

SCHEMBL1638686

COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)[C@@H](C)C2)c(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 18/20 0.51
KCNH2 Q12809 1/20 0.51
CCR1 P32246 2/20 0.48

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
SCHEMBL1638682 1.00 CXCR3 (0.51) CXCR3KCNH2CCR1
SCHEMBL13658133 0.91 CXCR3 (0.51) CXCR3KCNH2CCR1
SCHEMBL12726170 0.90 CXCR3 (0.52) CXCR3KCNH2
SCHEMBL13869125 0.89 CCR1 (0.49) CXCR3KCNH2CCR1
SCHEMBL1639716 0.87 CCR1 (0.50) CXCR3KCNH2CCR1
SCHEMBL12726530 0.86 CCR1 (0.51) CXCR3CCR1
SCHEMBL12726526 0.86 CCR1 (0.49) CXCR3CCR1
SCHEMBL1637737 0.86 CCR1 (0.51) CXCR3CCR1
SCHEMBL1637579 0.86 CCR1 (0.49) CXCR3CCR1
SCHEMBL1639724 0.86 CCR1 (0.48) CXCR3KCNH2CCR1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155203-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-10-17 EP disclosed
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-09-06 US disclosed
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
EP-1906965-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2015-05-06 EP disclosed
US-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2013-12-19 US disclosed
US-7524845-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2009-04-28 US disclosed
US-7524845-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2009-04-28 US disclosed
US-7524845-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2009-04-28 US disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 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 (5 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-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CXCR3 15/4885KCNH2 4629/4885CCR1 1/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CXCR3 15/4885KCNH2 4629/4885CCR1 1/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CXCR3 15/4885KCNH2 4629/4885CCR1 1/4885
US-20070010524-A1 Azaindazole compounds and methods of use CCR1, CCR3, CCR4 CXCR3 15/4885KCNH2 4629/4885CCR1 1/4885
US-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CXCR3 15/4885KCNH2 4629/4885CCR1 1/4885

“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.