SCHEMBL1003408

SCHEMBL1003408

NC1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 1.00
GSK3B P49841 3/20 1.00
KIT P10721 1/20 1.00
LCK P06239 1/20 0.76
JAK3 P52333 9/20 0.72
DOT1L Q8TEK3 2/20 0.71
HTR2C P28335 1/20 0.68
JAK2 O60674 1/20 0.58
JAK1 P23458 1/20 0.56

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
SCHEMBL30673936 1.00 AKT2 (1.00) AKT2GSK3BKITLCKJAK3
Hydrochloric Acid SCHEMBL29036033 0.98 AKT2 (0.97) AKT2GSK3BKITLCKJAK3
SCHEMBL15178732 0.91 DOT1L (0.85) AKT2GSK3BKITLCKJAK3
SCHEMBL10074309 0.91 DOT1L (0.85) AKT2GSK3BKITLCKJAK3
SCHEMBL2019251 0.91 AKT2 (0.83) AKT2GSK3BKITLCKJAK3
SCHEMBL15456272 0.90 AKT2 (0.82) AKT2GSK3BKITLCKJAK3
Hydrochloric Acid SCHEMBL15170166 0.90 DOT1L (0.82) AKT2GSK3BKITLCKJAK3
Hydrochloric Acid SCHEMBL15169727 0.90 DOT1L (0.82) AKT2GSK3BKITLCKJAK3
SCHEMBL2022699 0.88 AKT2 (0.78) AKT2GSK3BKITLCKJAK3
SCHEMBL2019457 0.87 LCK (1.00) AKT2GSK3BKITLCKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719018-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2025-08-27 EP claimed
WO-2023238919-A1 HYBRID TYPE COMPOUND OR SALT THEREOF 渡部 良広 2023-12-14 WO claimed
EP-3719018-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2025-08-27 EP disclosed
WO-2024175998-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS, LTD. (GB) 2024-08-29 WO disclosed
CN-118146226-A Pyrrolo [2,3-d ] pyrimidine compound with nitrogen-containing heterocyclic structure, and preparation method and application thereof 贵州大学 2024-06-07 CN disclosed
WO-2023238919-A1 HYBRID TYPE COMPOUND OR SALT THEREOF 渡部 良広 2023-12-14 WO disclosed
WO-2023238919-A1 HYBRID TYPE COMPOUND OR SALT THEREOF 渡部 良広 2023-12-14 WO disclosed
US-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-29 US disclosed
EP-2892534-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-08-04 EP disclosed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2009-10-01 US disclosed
CN-101489559-A Purine and deazapurine derivatives as pharmaceutical compounds ASTEX THERAPEUTICS LTD (GB) 2009-07-22 CN disclosed
CN-101484173-A Pharmaceutical combinations of pk inhibitors and other active agents ASTEX THERAPEUTICS LTD (GB) 2009-07-15 CN disclosed
EP-2043655-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-04-08 EP disclosed
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents ASTEX THERAPEUTICS LIMITED (GB) 2009-03-26 US disclosed
EP-2037931-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS Astex Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2007125321-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125321-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125310-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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 (3 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-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF ENPP1, ENPP3, PPA1 AKT2 1623/4885GSK3B 942/4885KIT 4808/4885
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK2, CDK1, OXSR1 AKT2 496/4885GSK3B 644/4885KIT 2780/4885
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents PKN2, PKN1, PKN3 AKT2 523/4885GSK3B 109/4885KIT 2305/4885

“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.