SCHEMBL13865839

SCHEMBL13865839

COc1ccccc1C(=O)N1CCCC(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.52
PDE5A O76074 2/20 0.49
PDE2A O00408 2/20 0.47
PDE3B Q13370 1/20 0.47
HPGD P15428 5/20 0.47
USP2 O75604 2/20 0.47
DCTPP1 Q9H773 1/20 0.47
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 3/20 0.46
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 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
SCHEMBL13865817 0.86 PDE9A (0.56) PDE2APDE3BHTTTSHRCYP3A4
SCHEMBL13865845 0.85 HPGD (0.54) TYK2PDE2AHPGDMAPK1TP53
SCHEMBL13865894 0.84 KHK (0.62) PDE2APDE3BHPGDUSP2MAPK1
SCHEMBL13865848 0.82 HPGD (0.50) TYK2HPGDUSP2MAPK1TP53
SCHEMBL13865933 0.80 HPGD (0.49) TYK2PDE5APDE2AHPGDUSP2
SCHEMBL4510202 0.78 TYK2 (0.58) TYK2PDE5AHPGDMAPK1TP53
SCHEMBL4513638 0.78 TYK2 (0.47) TYK2HPGDUSP2MAPK1ALDH1A1
SCHEMBL13865877 0.76 TSHR (0.47) PDE2APDE3BHPGDUSP2MAPK1
SCHEMBL13865802 0.76 ALDH1A1 (0.50) TYK2HPGDUSP2MAPK1TP53
SCHEMBL4516124 0.76 TYK2 (0.54) TYK2HPGDUSP2MAPK1TP53

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 3816/4885PDE5A 7/4885PDE2A 4/4885

“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.