SCHEMBL1003012

SCHEMBL1003012

NC1(Cc2cccc(OC(F)(F)F)c2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 18/20 1.00
AKT1 P31749 3/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2D6 P10635 1/20 0.61
RPS6KB1 P23443 1/20 0.61
GSK3B P49841 1/20 0.61
ROCK2 O75116 1/20 0.60
BTK Q06187 1/20 0.50
KIT P10721 1/20 0.50

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
SCHEMBL19368639 0.96 AKT2 (0.93) AKT2AKT1CYP2C9CYP2D6RPS6KB1
SCHEMBL1003864 0.89 AKT2 (1.00) AKT2AKT1CYP2C9CYP2D6RPS6KB1
SCHEMBL1003013 0.88 AKT2 (1.00) AKT2AKT1CYP2C9CYP2D6RPS6KB1
SCHEMBL13540025 0.82 AKT2 (0.78) AKT2AKT1CYP2C9CYP2D6RPS6KB1
SCHEMBL1003586 0.82 AKT2 (1.00) AKT2AKT1CYP2C9CYP2D6RPS6KB1
SCHEMBL1003972 0.82 AKT2 (0.76) AKT2AKT1CYP2C9CYP2D6RPS6KB1
SCHEMBL1001861 0.81 AKT2 (1.00) AKT2AKT1CYP2C9CYP2D6RPS6KB1
SCHEMBL2781525 0.81 AKT2 (1.00) AKT2AKT1CYP2C9CYP2D6RPS6KB1
SCHEMBL3993001 0.79 AKT2 (0.71) AKT2AKT1CYP2C9CYP2D6RPS6KB1
SCHEMBL1001918 0.77 AKT2 (1.00) AKT2AKT1CYP2C9CYP2D6RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812004-B1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2011-06-22 EP claimed
EP-3719018-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2025-08-27 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
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
US-9006430-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein ASTEX THERAPEUTICS LIMITED (GB) 2015-04-14 US 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
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 (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-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK2, CDK1, OXSR1 AKT2 496/4885AKT1 388/4885CYP2C9 2345/4885
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents PKN2, PKN1, PKN3 AKT2 523/4885AKT1 462/4885CYP2C9 587/4885

“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.