SCHEMBL3523865

SCHEMBL3523865

CC(C)Cc1nccn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL19520117 0.77 NUDT1 (0.46) NUDT1PDE3BPDE3AL3MBTL1
SCHEMBL19772846 0.74 GABRA1 (0.40) NUDT1L3MBTL1
SCHEMBL22179462 0.73 TLR7 (0.40) PDE3BPDE3ATLR7KDM4EUSP2
SCHEMBL18858530 0.73 PDE3B (0.44) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL9935446 0.72 NUDT1 (0.52) NUDT1L3MBTL1
SCHEMBL5408532 0.72 NUDT1 (0.52) NUDT1L3MBTL1
SCHEMBL24994891 0.69 SRC (0.33) NUDT1L3MBTL1TLR7
SCHEMBL10964015 0.68 PDE3B (0.39) NUDT1PDE3BPDE3ATLR7KDM4E
SCHEMBL15165105 0.68 NUDT1 (0.46) NUDT1L3MBTL1
SCHEMBL27897587 0.68 TTK (0.45) NUDT1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 NUDT1 1635/4885PDE3B 1862/4885PDE3A 2218/4885

“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.