SCHEMBL1639007

SCHEMBL1639007

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 8/20 0.60
MAPT P10636 3/20 0.59
ALK Q9UM73 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CCR1 P32246 5/20 0.54
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL13162408 0.95 SUV39H2 (0.61) SUV39H2MAPTALKSMN1; SMN2ALDH1A1
SCHEMBL4724872 0.90 SUV39H2 (0.59) SUV39H2MAPTALKSMN1; SMN2ALDH1A1
SCHEMBL30208188 0.87 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL15797078 0.87 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL29151168 0.87 CCR1 (0.54) SUV39H2MAPTALKSMN1; SMN2ALDH1A1
SCHEMBL12663222 0.86 ABCB1 (0.58) SUV39H2MAPTALKSMN1; SMN2ALDH1A1
SCHEMBL2386587 0.85 SUV39H2 (0.55) SUV39H2MAPTALKSMN1; SMN2ALDH1A1
SCHEMBL20682511 0.85 LMNA (0.54) SUV39H2MAPTALKSMN1; SMN2ALDH1A1
SCHEMBL1707770 0.85 MAPT (0.57) SUV39H2MAPTALKSMN1; SMN2ALDH1A1
SCHEMBL30726275 0.85 SUV39H2 (0.55) SUV39H2MAPTALKSMN1; SMN2ALDH1A1

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 74 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
EP-2155712-B1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX INC (US) 2016-09-07 EP disclosed
EP-2155712-B1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX INC (US) 2016-09-07 EP 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-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2013-12-19 US disclosed
US-20130184289-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX INC. (US) 2013-07-18 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 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 (8 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-20130184289-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CCR1, CCR3, CCR4 SUV39H2 4756/4885MAPT 3566/4885ALK 3669/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 SUV39H2 2353/4885MAPT 4546/4885ALK 3263/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 SUV39H2 2353/4885MAPT 4546/4885ALK 3263/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 SUV39H2 2585/4885MAPT 3524/4885ALK 1554/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 SUV39H2 3078/4885MAPT 4063/4885ALK 2664/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 SUV39H2 3078/4885MAPT 4063/4885ALK 2664/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 SUV39H2 2585/4885MAPT 3524/4885ALK 1554/4885
US-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 SUV39H2 2353/4885MAPT 4546/4885ALK 3263/4885

“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.