SCHEMBL13865757

SCHEMBL13865757

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.42
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PDE9A O76083 13/20 0.35
PDE1B Q01064 4/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PDE1C Q14123 4/20 0.34
PDE5A O76074 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL13865760 0.91 TYK2 (0.41) TYK2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13865739 0.89 TYK2 (0.41) TYK2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13865747 0.88 TYK2 (0.40) TYK2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13865780 0.86 TYK2 (0.46) TYK2PDE9APDE1C
SCHEMBL13865741 0.82 NPSR1 (0.41) TYK2KMT2ASMN1; SMN2PDE9APDE1B
SCHEMBL13865769 0.82 TYK2 (0.42) TYK2PDE9APDE1C
SCHEMBL13865751 0.81 MAPT (0.41) TYK2KMT2ASMN1; SMN2PDE9APDE1B
SCHEMBL4510741 0.81 TSHR (0.47) TYK2KMT2ANPC1RAB9APDE9A
SCHEMBL4501099 0.81 NPC1 (0.39) TYK2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13865785 0.80 TYK2 (0.43) TYK2KMT2ANPC1RAB9ASMN1; SMN2

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-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 TYK2 3816/4885KMT2A 3190/4885NPC1 3876/4885

“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.