SCHEMBL13865747

SCHEMBL13865747

BOC(=O)N1CC(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.40
KMT2A Q03164 1/20 0.37
PDE9A O76083 13/20 0.36
PDE1B Q01064 4/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE1C Q14123 4/20 0.35
PDE5A O76074 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL13865751 0.91 MAPT (0.41) TYK2KMT2APDE9APDE1BTP53
SCHEMBL13865757 0.88 TYK2 (0.42) TYK2KMT2APDE9APDE1BHDAC1
SCHEMBL13865739 0.86 TYK2 (0.41) TYK2KMT2APDE9APDE1BHDAC1
SCHEMBL4501099 0.84 NPC1 (0.39) TYK2KMT2APDE9APDE1BHDAC1
SCHEMBL13865780 0.83 TYK2 (0.46) TYK2PDE9APDE1C
SCHEMBL13865760 0.81 TYK2 (0.41) TYK2KMT2APDE9APDE1BTP53
SCHEMBL13865744 0.81 PDE9A (0.53) PDE9APDE1BHDAC1HDAC2HDAC6
SCHEMBL4515638 0.80 PDE9A (0.42) TYK2KMT2APDE9AMAPT
SCHEMBL13865741 0.80 NPSR1 (0.41) TYK2KMT2APDE9APDE1BTP53
SCHEMBL13865769 0.79 TYK2 (0.42) TYK2PDE9APDE1C

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
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B TYK2 3816/4885KMT2A 3190/4885PDE9A 13/4885

“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.