SCHEMBL13865746

SCHEMBL13865746

BOC(=O)N1CC(c2nc3c(c(C)nn3C(C)(C)C)c(=O)[nH]2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.39
KHK P50053 4/20 0.38
PARP1 P09874 2/20 0.37
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 4/20 0.33
HPGD P15428 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL13865750 0.91 KHK (0.45) PDE5AKHKUSP2POLBSMN1; SMN2
SCHEMBL13865754 0.88 KHK (0.40) PDE5AKHKPARP1USP2POLB
SCHEMBL13865738 0.86 KHK (0.41) PDE5AKHKPARP1USP2POLB
SCHEMBL13865775 0.83 KHK (0.42) PDE5AKHKPARP1USP2POLB
SCHEMBL13865748 0.82 ALDH1A1 (0.42) KHKUSP2TSHRMEN1KMT2A
SCHEMBL13865758 0.81 KHK (0.45) PDE5AKHKPARP1USP2SMN1; SMN2
SCHEMBL13865743 0.80 KHK (0.44) KHKUSP2POLBSMN1; SMN2TSHR
SCHEMBL4501430 0.80 USP2 (0.40) PDE5AKHKPARP1USP2POLB
SCHEMBL13865762 0.79 KHK (0.40) PDE5AKHKPARP1TSHRMEN1
SCHEMBL13865747 0.79 TYK2 (0.40) PDE5ASMN1; SMN2KMT2ATP53MAPT

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 PDE5A 7/4885KHK 3420/4885PARP1 81/4885

“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.