SCHEMBL8566224

SCHEMBL8566224

CNC(=O)c1ccnc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
HDAC6 Q9UBN7 3/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
UHRF1 Q96T88 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL28697954 0.85 HDAC6 (0.60) HDAC6HDAC8HDAC2HDAC3HDAC1
SCHEMBL1543956 0.83 KDM4E (0.55) HDAC6HDAC2HDAC3HDAC1UHRF1
SCHEMBL30637340 0.83 KDM4E (0.55) HDAC6HDAC2HDAC3HDAC1UHRF1
SCHEMBL26415629 0.81 PLK1 (0.50) PLK1HDAC6HDAC8HDAC2SMN1; SMN2
SCHEMBL20812639 0.80 FDPS (0.58) HDAC6HDAC2HDAC3HDAC1LMNA
SCHEMBL12061585 0.80 KDM5A (0.47) HDAC6HDAC2HDAC3HDAC1SMN1; SMN2
SCHEMBL9382063 0.80 LMNA (0.47) HDAC6HDAC2HDAC3HDAC1SLC6A3
SCHEMBL3356107 0.79 UHRF1 (0.50) HDAC6HDAC2HDAC3HDAC1UHRF1
SCHEMBL22627253 0.79 PLK1 (0.49) PLK1HDAC6HDAC8HDAC2SMN1; SMN2
SCHEMBL22612088 0.79 PLK1 (0.49) PLK1HDAC6HDAC8HDAC2SMN1; 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2024-07-18 US disclosed
US-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2022212296-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2022-10-06 WO disclosed
WO-2021226458-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
EP-3889154-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-10-06 EP disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20070049592-A1 Bis-aryl urea compounds and methods of use AMGEN INC. 2007-03-01 US disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 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 (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-20230234950-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 PLK1 2041/4885HDAC6 1402/4885HDAC8 1810/4885
US-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR PLK1 192/4885HDAC6 386/4885HDAC8 293/4885
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK PLK1 531/4885HDAC6 1687/4885HDAC8 3450/4885
US-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF MDM2, CUL1, PSMG3 PLK1 1349/4885HDAC6 690/4885HDAC8 2798/4885
US-20070049592-A1 Bis-aryl urea compounds and methods of use TIE1, KDR, BDKRB2 PLK1 460/4885HDAC6 2718/4885HDAC8 3375/4885
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 PLK1 1097/4885HDAC6 17/4885HDAC8 554/4885

“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.