SCHEMBL3240436

SCHEMBL3240436

c1c[nH]c(-c2cc[nH]n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.47
MTOR P42345 1/20 0.47
ADK P55263 1/20 0.47
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMPD3 Q9NY59 1/20 0.37
ADRA2A P08913 3/20 0.36
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL5505707 0.76 NISCH (0.35) NISCHMTORADKPDE3BPDE3A
SCHEMBL1558112 0.75 NISCH (0.34) NISCHMTORADKPDE3BPDE3A
SCHEMBL28581729 0.75 NISCH (0.52) NISCHMTORADKPDE3BPDE3A
SCHEMBL5491437 0.75
SCHEMBL30216772 0.75 NISCH (0.52) NISCHMTORADKPDE3BPDE3A
SCHEMBL1673128 0.72
SCHEMBL81650 0.72 NISCH (0.59) NISCHMTORADKPDE3BPDE3A
SCHEMBL197279 0.71 NISCH (0.54) NISCHMTORADKPDE3BPDE3A
SCHEMBL28425230 0.70 NISCH (0.56) NISCHMTORADKPDE3BPDE3A
Hydrochloric Acid SCHEMBL1536214 0.70 NISCH (0.56) NISCHMTORADKPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332964-B Synthesis method of bidentate pyrazolyl nitrogen heterocyclic palladium carbene compound 西北大学 2024-05-24 CN claimed
CN-116332964-A Synthesis method of bidentate pyrazolyl nitrogen heterocyclic palladium carbene compound 西北大学 2023-06-27 CN claimed
CN-109535145-B 1,3,4-oxa (thia) diazolyl imidazole compound and preparation method and application thereof 贵州大学 2022-05-24 CN claimed
CN-119462769-A Preparation method and application of bimodal linear polyethylene chromium carbene catalyst 西北大学 2025-02-18 CN disclosed
CN-116332964-B Synthesis method of bidentate pyrazolyl nitrogen heterocyclic palladium carbene compound 西北大学 2024-05-24 CN disclosed
CN-116332964-B Synthesis method of bidentate pyrazolyl nitrogen heterocyclic palladium carbene compound 西北大学 2024-05-24 CN disclosed
CN-117651551-A Use and method of using Nrf2 activators to enhance natural killer and/or T cell activity and/or survival 成白血球细胞公司 2024-03-05 CN disclosed
CN-116332964-A Synthesis method of bidentate pyrazolyl nitrogen heterocyclic palladium carbene compound 西北大学 2023-06-27 CN disclosed
CN-116332964-A Synthesis method of bidentate pyrazolyl nitrogen heterocyclic palladium carbene compound 西北大学 2023-06-27 CN disclosed
CN-115989225-A Imidazole-pyrazole derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
CN-115989227-A Imidazole-pyrazole derivatives having antibacterial properties 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
CN-1649848-A Fused pyrimidines derivatives as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LTD (GB) 2005-08-03 CN disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US disclosed
EP-1383747-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002088095-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2002-11-07 WO disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO disclosed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP 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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 NISCH 645/4885MTOR 1866/4885ADK 1053/4885
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors MAP3K15, MAP3K20, MAP3K3 NISCH 3267/4885MTOR 66/4885ADK 193/4885

“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.