SCHEMBL2629323

SCHEMBL2629323

COC(=O)c1ccc(-c2ccn(C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.60
KEAP1 Q14145 1/20 0.51
KMT2A Q03164 3/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48
SCN4A P35499 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA7 P43166 1/20 0.47
ALDH1A3 P47895 2/20 0.47
ALDH1A2 O94788 1/20 0.47
TLR8 Q9NR97 1/20 0.47

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
SCHEMBL13874244 0.98 JMJD6 (0.58) JMJD6KEAP1KMT2AMKNK1MKNK2
SCHEMBL28926737 0.83 MEN1 (0.48) JMJD6KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL891515 0.81 TLR8 (0.46) JMJD6KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL24724116 0.81 KEAP1 (0.56) JMJD6KEAP1KMT2AMKNK1MKNK2
SCHEMBL2629322 0.81 KMT2A (0.60) JMJD6KEAP1KMT2AMKNK1MKNK2
SCHEMBL13874241 0.80 SLC6A3 (0.60) JMJD6KEAP1KMT2AALDH1A1SCN4A
SCHEMBL31735384 0.80 MEN1 (0.57) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL31228042 0.78 ALDH1A1 (0.51) KMT2AALDH1A1MEN1TDP1ALDH1A3
SCHEMBL17290366 0.76 ALDH1A1 (0.49) JMJD6KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL13975284 0.76 TLR8 (0.50) JMJD6KMT2AALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US claimed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-03-26 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
WO-2007103456-A2 PIPERAZINE AND PIPERIDINE BIARYL DERIVATIVES TRIMERIS, INC. (US) 2007-09-13 WO disclosed
WO-2007103456-A2 PIPERAZINE AND PIPERIDINE BIARYL DERIVATIVES TRIMERIS, INC. (US) 2007-09-13 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 JMJD6 712/4885KEAP1 3915/4885KMT2A 2616/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 JMJD6 541/4885KEAP1 3250/4885KMT2A 2420/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP JMJD6 1014/4885KEAP1 3146/4885KMT2A 2166/4885
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 JMJD6 283/4885KEAP1 787/4885KMT2A 2613/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 JMJD6 712/4885KEAP1 3915/4885KMT2A 2616/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 JMJD6 1488/4885KEAP1 4154/4885KMT2A 3221/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 JMJD6 541/4885KEAP1 3250/4885KMT2A 2420/4885
US-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 JMJD6 1597/4885KEAP1 3246/4885KMT2A 1777/4885

“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.