SCHEMBL4138321

SCHEMBL4138321

CC1(C)C(=O)Nc2cc(N)c(N)cc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.50
PDK2 Q15119 1/20 0.48
PDK4 Q16654 1/20 0.48
PGR P06401 8/20 0.45
PDE3B Q13370 7/20 0.42
PDE3A Q14432 7/20 0.42
PDE4A P27815 6/20 0.40
PDE4B Q07343 6/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
MAPK14 Q16539 2/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL31219713 0.85 ATAD2 (0.45) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL10517587 0.85 ATAD2 (0.45) ATAD2PDK2PDK4PGRPDE3B
Hydrochloric Acid SCHEMBL9559266 0.83 ATAD2 (0.44) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL2490212 0.82 PDK2 (0.45) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL2486621 0.82 PDK2 (0.45) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL9831613 0.79 PGR (0.48) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL2487418 0.79 TDP1 (0.49) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL520415 0.76 PDK2 (0.55) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL30539488 0.76 PDK2 (0.55) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL496554 0.76 PDK2 (0.55) ATAD2PDK2PDK4PGRPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1966213-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
CN-101160312-A Tricyclic azole derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-04-09 CN disclosed
WO-2008022747-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 WO disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
WO-2007068465-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0257334-A2 Tricyclic benzotriazoles, process for their preparation and medicaments Roche Diagnostics GmbH (DE) 1988-03-02 EP disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
US-4695567-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them and method of using them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-09-22 US disclosed
US-4671803-A PARTIAL OXIDATION PROCESS TEXACO DEVELOPMENT CORP. (US) 1987-06-09 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed
EP-0189103-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1986-07-30 EP disclosed
EP-0186010-A1 Pyrrolo benzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1986-07-02 EP disclosed
CN-85103724-A The method for preparing novel pyrrolo-benzoglyoxaline 1986-07-02 CN disclosed
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 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-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents AAAS, CYP3A5, BRCA1 ATAD2 4123/4885PDK2 3469/4885PDK4 3323/4885
US-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 ATAD2 4258/4885PDK2 633/4885PDK4 823/4885

“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.