SCHEMBL2876509

SCHEMBL2876509

CCOC(=O)c1n[nH]c(-c2cccs2)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ MAPT P10636 13/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ TP53 P04637 7/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ GAA P10253 2/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA9 Q16790 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
SCHEMBL21331813 0.79 KDM4E (0.55) KMT2AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2874452 0.79 KMT2A (0.57) KMT2AMAPTALDH1A1KDM4ETP53
SCHEMBL2866868 0.73 KDR (0.42) KMT2AMAPTALDH1A1KDM4ETP53
SCHEMBL16200219 0.73 CA1 (0.48) KMT2AMAPTALDH1A1KDM4ETP53
SCHEMBL13211359 0.72 ERCC1 (0.54) KMT2AMAPTALDH1A1KDM4ETP53
SCHEMBL594734 0.72 KMT2A (0.62) KMT2AMAPTALDH1A1KDM4ETP53
SCHEMBL9941259 0.72 KDM4E (0.50) KMT2AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2846088 0.72 HCAR2 (0.59) KMT2AMAPTALDH1A1KDM4ETP53
SCHEMBL570366 0.72 KMT2A (0.49) KMT2AMAPTKDM4EPOLBGAA
SCHEMBL14015694 0.71 CA1 (0.47) KMT2AMAPTALDH1A1KDM4ETP53

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 — — US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 — — 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 (6 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 KMT2A 3499/4885MAPT 3524/4885ALDH1A1 788/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3499/4885MAPT 3524/4885ALDH1A1 788/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3775/4885MAPT 4063/4885ALDH1A1 951/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3775/4885MAPT 4063/4885ALDH1A1 951/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3499/4885MAPT 3524/4885ALDH1A1 788/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 KMT2A 3775/4885MAPT 4063/4885ALDH1A1 951/4885

“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.

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