SCHEMBL2874452

SCHEMBL2874452

CCOC(=O)c1[nH]nc(-c2cccs2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 7/20 0.47
TP53 P04637 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 3/20 0.47
HPGD P15428 5/20 0.46
HSD17B10 Q99714 1/20 0.46
CDC25B P30305 1/20 0.46
GAA P10253 2/20 0.46
KEAP1 Q14145 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
AURKA O14965 1/20 0.44
MAPK10 P53779 1/20 0.44
RIPK1 Q13546 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1456631 0.86 KMT2A (0.56) KMT2AALDH1A1KDM4EMAPTTP53
SCHEMBL1456158 0.83 KMT2A (0.53) KMT2AALDH1A1KDM4EMAPTTP53
SCHEMBL2870641 0.81 NPSR1 (0.60) KMT2AALDH1A1KDM4EMAPTTP53
SCHEMBL2876509 0.79 KMT2A (0.56) KMT2AALDH1A1KDM4EMAPTTP53
SCHEMBL8473987 0.77 KMT2A (0.45) KMT2AALDH1A1KDM4EMAPTTP53
SCHEMBL3848844 0.77 KMT2A (0.54) KMT2AALDH1A1KDM4EMAPTTP53
SCHEMBL5385736 0.76 KMT2A (0.56) KMT2AALDH1A1KDM4EMAPTTP53
SCHEMBL6337094 0.76 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2HPGDHSD17B10
SCHEMBL594734 0.73 KMT2A (0.62) KMT2AALDH1A1KDM4EMAPTTP53
SCHEMBL8399677 0.72 JUN (0.52) KMT2AALDH1A1KDM4EMAPTTP53

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 32 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-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-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-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-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 KMT2A 3499/4885ALDH1A1 788/4885KDM4E 3526/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3775/4885ALDH1A1 951/4885KDM4E 3949/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3775/4885ALDH1A1 951/4885KDM4E 3949/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3499/4885ALDH1A1 788/4885KDM4E 3526/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 KMT2A 3775/4885ALDH1A1 951/4885KDM4E 3949/4885

“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.