SCHEMBL4513768

SCHEMBL4513768

CC(C)(C)c1csc(N2CC(c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.53
DAPK3 O43293 1/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TSHR P16473 3/20 0.43
PDE5A O76074 6/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.41
PTGS2 P35354 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL4513652 0.85 TYK2 (0.50) TYK2L3MBTL1TP53ALDH1A1TSHR
SCHEMBL4591180 0.82 TYK2 (0.62) TYK2DAPK3PIM1PIM3L3MBTL1
SCHEMBL4513761 0.81 PDE9A (0.49)
SCHEMBL4524313 0.78 TYK2 (0.45) TYK2L3MBTL1TP53ALDH1A1TSHR
SCHEMBL17506173 0.76 TYK2 (0.57) TYK2DAPK3PIM1PIM3L3MBTL1
SCHEMBL4510202 0.75 TYK2 (0.58) TYK2DAPK3PIM1PIM3L3MBTL1
SCHEMBL4498181 0.75 TYK2 (0.56) TYK2DAPK3PIM1PIM3L3MBTL1
SCHEMBL4510380 0.75 TYK2 (0.53) TYK2DAPK3PIM1PIM3L3MBTL1
SCHEMBL4510623 0.74 TYK2 (0.55) TYK2DAPK3PIM1PIM3L3MBTL1
SCHEMBL4512357 0.74 KMT2A (0.53) TYK2L3MBTL1TP53ALDH1A1TSHR

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 1 patent. 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

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 3816/4885DAPK3 648/4885PIM1 2185/4885

“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.