SCHEMBL4522085

SCHEMBL4522085

CC(C)(C)n1ncc2c(=O)[nH]c(C3CN(c4ccccn4)C3)nc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 17/20 0.43
PDE1C Q14123 5/20 0.43
TYK2 P29597 1/20 0.41
KCNH2 Q12809 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL4510882 0.80 PDE10A (0.44) PDE9APDE1CTYK2
SCHEMBL13865980 0.80 TYK2 (0.39) PDE9APDE1CTYK2KCNH2
SCHEMBL13865780 0.79 TYK2 (0.46) PDE9APDE1CTYK2
SCHEMBL4508466 0.76 NPC1 (0.53) PDE9APDE1CTYK2
Hydrochloric Acid SCHEMBL4523679 0.76 TYK2 (0.46) PDE9APDE1CTYK2
SCHEMBL13865757 0.75 TYK2 (0.42) PDE9APDE1CTYK2TNKSTNKS2
SCHEMBL13865769 0.75 TYK2 (0.42) PDE9APDE1CTYK2KCNH2
SCHEMBL4512827 0.75 PDE10A (0.46) PDE9APDE1CTYK2
SCHEMBL4505595 0.74 CYP1A2 (0.47) PDE9APDE1CTYK2PARP1
SCHEMBL13865739 0.74 TYK2 (0.41) PDE9APDE1CTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885PDE1C 190/4885TYK2 3816/4885

“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.