SCHEMBL13610825

SCHEMBL13610825

Cc1nc(C(=O)C(C)(C)C)cs1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ HIF1A Q16665 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ECE1 P42892 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KDM4A O75164 1/20 0.35
▸ KDM4B O94953 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL27830217 0.79 TLR7 (0.50) TLR7KDM4EHIF1ASMN1; SMN2ECE1
SCHEMBL23896444 0.78 BTK (0.33) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL19240720 0.78 L3MBTL1 (0.33) KDM4ESMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL15745603 0.78 ALDH1A1 (0.51) KDM4ESMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL2643511 0.77 — —
SCHEMBL457097 0.77 — —
SCHEMBL12370920 0.76 TLR7 (0.53) TLR7KDM4EHIF1ASMN1; SMN2ALDH1A1
SCHEMBL16355745 0.76 HPGDS (0.50) TLR7KDM4EHIF1AECE1ALDH1A1
SCHEMBL18307620 0.76 TLR7 (0.49) TLR7SMN1; SMN2GAAMAPT
SCHEMBL16908078 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016896-B2 Dipeptidomimetics as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2024-06-25 — — US disclosed
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-11-16 — — US disclosed
US-11202817-B2 Dipeptidomimetics as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2021-12-21 — — US disclosed
US-20200385371-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2020-12-10 — — US disclosed
WO-2019233456-A1 ERK INHIBITOR AND USE THEREOF 贝达药业股份有限公司 (CN) 2019-12-12 — — WO disclosed
US-20180221431-A1 DIPEPTIDOMIMETICS AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 — — US disclosed
US-20180221431-A1 DIPEPTIDOMIMETICS AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 — — US disclosed
US-9988421-B2 Dipeptides as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2018-06-05 — — US disclosed
US-9988421-B2 Dipeptides as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2018-06-05 — — US disclosed
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-17 — — US disclosed
US-20170121366-A1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES CORNELL UNIVERSITY 2017-05-04 — — US disclosed
US-20170121366-A1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES CORNELL UNIVERSITY 2017-05-04 — — US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 — — US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 — — US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 — — US 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 (9 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-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 TLR7 2458/4885KDM4E 3044/4885HIF1A 4775/4885
US-20200385371-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 TLR7 4773/4885KDM4E 967/4885HIF1A 2278/4885
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 TLR7 2297/4885KDM4E 2974/4885HIF1A 1719/4885
US-20170121366-A1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES DNPEP, PSMB10, DPEP1 TLR7 2353/4885KDM4E 809/4885HIF1A 3764/4885
US-20180221431-A1 DIPEPTIDOMIMETICS AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES PREP, CTSC, DNPEP TLR7 1566/4885KDM4E 825/4885HIF1A 2646/4885
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF EZH2, BMI1, EZH1 TLR7 3582/4885KDM4E 22/4885HIF1A 1648/4885
US-11202817-B2 Dipeptidomimetics as inhibitors of human immunoproteasomes PREP, CTSC, DNPEP TLR7 1529/4885KDM4E 841/4885HIF1A 2604/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B TLR7 3546/4885KDM4E 2743/4885HIF1A 1171/4885
US-12016896-B2 Dipeptidomimetics as inhibitors of human immunoproteasomes PREP, CTSC, DNPEP TLR7 1529/4885KDM4E 841/4885HIF1A 2604/4885

“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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