SCHEMBL2870641

SCHEMBL2870641

CCOC(=O)c1[nH]nc(-c2ccc(Cl)s2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CDC25B P30305 2/20 0.47
HPGD P15428 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 4/20 0.45
KDM4E B2RXH2 1/20 0.44
AURKA O14965 1/20 0.42
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.42
DUSP3 P51452 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALPL P05186 1/20 0.40
XPO1 O14980 1/20 0.39
HPGDS O60760 1/20 0.39
FOS P01100 1/20 0.39

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
SCHEMBL2874452 0.81 KMT2A (0.57) NPSR1CDC25BHPGDALDH1A1HSD17B10
SCHEMBL7497667 0.78 NPSR1 (0.56) NPSR1L3MBTL1CDC25BHPGDALDH1A1
SCHEMBL6337094 0.77 ALDH1A1 (0.48) CDC25BHPGDALDH1A1HSD17B10AURKA
SCHEMBL17221098 0.72 ALDH1A1 (0.52) NPSR1L3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL2874155 0.72 PDE4D (0.58) NPSR1L3MBTL1CDC25BHPGDALDH1A1
SCHEMBL9941259 0.70 KDM4E (0.50) L3MBTL1CDC25BHPGDALDH1A1HSD17B10
SCHEMBL31378500 0.70 NPSR1 (0.59) NPSR1L3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL4063809 0.69 L3MBTL1 (0.62) NPSR1L3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL1455540 0.69 ALDH1A1 (0.65) NPSR1L3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL13398524 0.68 NPSR1 (0.51) NPSR1L3MBTL1HPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP 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 (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-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 NPSR1 469/4885L3MBTL1 1517/4885CDC25B 3126/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 NPSR1 380/4885L3MBTL1 1589/4885CDC25B 3110/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 NPSR1 380/4885L3MBTL1 1589/4885CDC25B 3110/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 NPSR1 469/4885L3MBTL1 1517/4885CDC25B 3126/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 NPSR1 380/4885L3MBTL1 1589/4885CDC25B 3110/4885

“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.