SCHEMBL3572286

SCHEMBL3572286

Cc1nc(C)c(-c2cc[nH]c(=O)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.49
CDK4 P11802 8/20 0.49
CCNE1 P24864 2/20 0.49
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
AURKA O14965 3/20 0.43
CDK1 P06493 3/20 0.43
CDK7 P50613 3/20 0.43
CDK9 P50750 3/20 0.43
AURKB Q96GD4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PLK1 P53350 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV4 Q9HBA0 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL5209668 0.73 LMNA (0.49) CDK2CDK4CCNE1LMNAHTT
SCHEMBL2354303 0.69 MEN1 (0.46) LMNAALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL31553295 0.69 COMT (0.51) CDK2CDK4CCNE1LMNAHTT
SCHEMBL3569529 0.68 CCR1 (0.59) RAB9A
SCHEMBL12537263 0.67 COMT (0.52) CDK2CDK4CCNE1LMNAHTT
SCHEMBL3577217 0.67 BRD4 (0.49) ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3569107 0.67 AXL (0.41) MEN1KMT2A
SCHEMBL2350648 0.67 IDO1 (0.43) LMNAHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL592718 0.66
SCHEMBL25778045 0.66 CDK2 (0.67) 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.