SCHEMBL4510202

SCHEMBL4510202

O=C(O)N1CC(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.58
PDE5A O76074 3/20 0.53
ALDH1A1 P00352 6/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
TSHR P16473 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PTGS2 P35354 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
DAPK3 O43293 1/20 0.50
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.48
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
DNMT1 P26358 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4510948 0.87 TYK2 (0.53) TYK2PDE5AALDH1A1HPGDHTT
SCHEMBL4591180 0.87 TYK2 (0.62) TYK2PDE5AALDH1A1HPGDHTT
SCHEMBL4510380 0.86 TYK2 (0.53) TYK2PDE5AALDH1A1HPGDHTT
SCHEMBL4510912 0.86 TYK2 (0.53) TYK2PDE5AALDH1A1HPGDHTT
SCHEMBL4498996 0.85 TYK2 (0.53) TYK2PDE5AALDH1A1HPGDHTT
SCHEMBL4515628 0.85 TYK2 (0.50) TYK2PDE5AALDH1A1HPGDHTT
SCHEMBL4501874 0.84 TYK2 (0.49) TYK2PDE5AALDH1A1HPGDHTT
SCHEMBL4515133 0.83 TYK2 (0.48) TYK2PDE5AALDH1A1HPGDHTT
SCHEMBL4502029 0.83 POLB (0.49) TYK2PDE5AALDH1A1HPGDHTT
SCHEMBL4524015 0.83 TYK2 (0.50) TYK2PDE5AALDH1A1HPGDHTT

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 3816/4885PDE5A 7/4885ALDH1A1 240/4885

“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.