SCHEMBL4500941

SCHEMBL4500941

CC(C)(C)OC(=O)Nc1cccc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.59
PDK2 Q15119 1/20 0.59
PDK3 Q15120 1/20 0.59
PDK4 Q16654 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
RORC P51449 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GRM4 Q14833 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL30849775 1.00 PDK1 (0.59) PDK1PDK2PDK3PDK4SIRT2
SCHEMBL28225535 0.87 RORC (0.55) PDK1PDK2PDK3PDK4SIRT2
SCHEMBL6403303 0.87 HDAC3 (0.48) PDK1PDK2PDK3PDK4SIRT2
SCHEMBL30278664 0.85 MEN1 (0.48) PDK1PDK2PDK3PDK4SIRT2
SCHEMBL16953907 0.85 HDAC3 (0.47) PDK1PDK2PDK3PDK4SIRT2
SCHEMBL835653 0.85 MEN1 (0.48) PDK1PDK2PDK3PDK4SIRT2
SCHEMBL1684396 0.85 CYP17A1 (0.58) PDK1PDK2PDK3PDK4SIRT2
SCHEMBL4598556 0.84 MAPT (0.62) PDK1PDK2PDK3PDK4SIRT2
SCHEMBL29029431 0.84 HDAC3 (0.56) MAPTLMNARORCHSD17B10MAPK1
SCHEMBL22669530 0.84 HDAC3 (0.46) PDK1PDK2PDK3PDK4SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864380-B1 CLAY-COMPATIBLE ADDITIVE FOR CONSTRUCTION CHEMICALS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2017-02-01 EP claimed
US-20150183688-A1 CLAY-COMPATIBLE ADDITIVE FOR CONSTRUCTION CHEMICALS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2015-07-02 US claimed
EP-2864380-A1 CLAY-COMPATIBLE ADDITIVE FOR CONSTRUCTION CHEMICALS Construction Research & Technology GmbH (DE) 2015-04-29 EP claimed
WO-2014001064-A1 CLAY-COMPATIBLE ADDITIVE FOR CONSTRUCTION CHEMICALS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2014-01-03 WO claimed
US-4657593-A USING AN THERMOSTABLE, HYDROPHILIC ALDOL CONDENSATION POLYMER OF AN ALDEHYDE AND KETONE SKW TROSTBERG AKTIENGESELLSCHAFT (DE) 1987-04-14 US claimed
CN-116546990-B CD73 inhibitor and pharmaceutical application thereof RISEN (SUZHOU) PHARMA TECH Co.,Ltd. (CN) 2026-05-26 CN disclosed
EP-3474901-B1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B V (NL) 2025-08-06 EP disclosed
US-12186405-B2 Cleavable tetrazine used in bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2025-01-07 US disclosed
CN-114539340-B CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2024-06-07 CN disclosed
CN-116546990-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2023-08-04 CN disclosed
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 US disclosed
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 US disclosed
US-5705599-A ANTISWELLING AGENTS FOR CLAYS SKW TROSTBERG AKTIENGESELLSCHAFT (DE) 1998-01-06 US disclosed
US-5597915-A ANTAGONISTS OF CHOLECYSTOKININ AND GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1997-01-28 US disclosed
EP-0637308-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1995-02-08 EP disclosed
WO-1993019063-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-09-30 WO disclosed
US-5220018-A Benzodiazepine derivatives MERCK & CO., INC. (US) 1993-06-15 US disclosed
EP-0508796-A1 Cholecystokinin antagonists MERCK & CO. INC. (US) 1992-10-14 EP disclosed
US-4657593-A USING AN THERMOSTABLE, HYDROPHILIC ALDOL CONDENSATION POLYMER OF AN ALDEHYDE AND KETONE SKW TROSTBERG AKTIENGESELLSCHAFT (DE) 1987-04-14 US disclosed
US-4585853-A Acid group-containing hydrophilic co-condensation products of ketone-aldehyde resins SKW TROSTBERG AKTIENGESELLSCHAFT (DE) 1986-04-29 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 (2 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-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD PDK1 913/4885PDK2 886/4885PDK3 636/4885
US-12186405-B2 Cleavable tetrazine used in bio-orthogonal drug activation KIT, TPSB2, BTD PDK1 913/4885PDK2 886/4885PDK3 636/4885

“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.