SCHEMBL3572269

SCHEMBL3572269

CSc1nccc(-c2sc(C)nc2C)n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.62
CDK4 P11802 13/20 0.62
CCNE1 P24864 2/20 0.62
AURKA O14965 4/20 0.51
CDK1 P06493 4/20 0.51
CDK7 P50613 4/20 0.51
CDK9 P50750 4/20 0.51
AURKB Q96GD4 3/20 0.51
PLK1 P53350 1/20 0.50
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CA P42336 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
SCHEMBL1888770 0.84 CDK4 (0.52) CDK2CDK4CCNE1AURKACDK1
SCHEMBL3232487 0.79 PIK3CA (0.51) CDK2CDK4CCNE1AURKACDK1
SCHEMBL28776134 0.77 CDK2 (0.66) CDK2CDK4CCNE1AURKACDK1
SCHEMBL4314069 0.77 CDK2 (1.00) CDK2CDK4CCNE1AURKACDK1
SCHEMBL299787 0.77 KDM4E (0.73) CDK2CDK4CCNE1LMNAKDM4E
SCHEMBL20550287 0.76 TNF (0.42) CDK2CDK4CCNE1AURKACDK1
SCHEMBL8290784 0.75 LMNA (0.53) CDK2CDK9LMNAKDM4EMAPK1
SCHEMBL20550693 0.73 KDM4E (0.40) CDK2CDK4CCNE1LMNAKDM4E
SCHEMBL25778045 0.73 CDK2 (0.67) CDK2CDK4CCNE1AURKACDK1
SCHEMBL3568782 0.72 CDK2 (0.59) CDK2CDK4CCNE1AURKACDK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007751-B1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
EP-2007751-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
WO-2007113260-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113260-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 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 (1 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-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, HTR3A CDK2 647/4885CDK4 825/4885CCNE1 1804/4885

“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.