SCHEMBL980068

SCHEMBL980068

Nc1cccc(-c2cn[nH]c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.59
AKT1 P31749 1/20 0.59
AKT2 P31751 1/20 0.59
METAP2 P50579 1/20 0.56
MAP4K4 O95819 5/20 0.53
MAP3K5 Q99683 1/20 0.52
MAOA P21397 1/20 0.52
MEN1 O00255 2/20 0.52
PSIP1 O75475 1/20 0.52
AXL P30530 1/20 0.52
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
ROCK2 O75116 1/20 0.48
ENPP2 Q13822 1/20 0.47
KIT P10721 1/20 0.46
PDPK1 O15530 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL16416958 0.98 CHEK1 (0.58) CHEK1AKT1AKT2METAP2MAP4K4
SCHEMBL15416779 0.87 CHEK1 (0.55) CHEK1AKT1AKT2METAP2MAP4K4
SCHEMBL30424015 0.86 AKT2 (0.71) CHEK1AKT1AKT2MAP3K5ROCK2
SCHEMBL4582269 0.77 AKT2 (0.59) CHEK1AKT1AKT2MAP3K5ROCK2
SCHEMBL22861241 0.77 AKT2 (0.59) CHEK1AKT1AKT2MAP3K5ROCK2
SCHEMBL23804742 0.77 AKT2 (0.59) CHEK1AKT1AKT2ROCK2KDM4E
SCHEMBL17980346 0.77 NT5E (0.59) CHEK1AKT1AKT2METAP2RPS6KA3
SCHEMBL20597906 0.77 AKT2 (0.59) CHEK1AKT1AKT2ROCK2RPS6KA3
SCHEMBL3089533 0.77 AKT1 (0.59) CHEK1AKT1AKT2METAP2MEN1
SCHEMBL29366181 0.77 NT5E (0.59) CHEK1AKT1AKT2METAP2RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP claimed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO claimed
EP-3985001-B1 PHARMACEUTICAL COMPOSITION FOR USE IN TREATING A CANCER SERVIER LAB (FR) 2026-04-29 EP disclosed
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 CN disclosed
US-20240059733-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2024-02-22 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
WO-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 EP disclosed
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 US disclosed
EP-2297097-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-03-23 EP disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 WO disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP disclosed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 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 (4 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-20240059733-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A CHEK1 158/4885AKT1 1100/4885AKT2 813/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CHEK1 1918/4885AKT1 1425/4885AKT2 1249/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 CHEK1 516/4885AKT1 1429/4885AKT2 2256/4885
US-11667673-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A CHEK1 158/4885AKT1 1100/4885AKT2 813/4885

“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.