SCHEMBL13865754

SCHEMBL13865754

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 5/20 0.40
PARP1 P09874 2/20 0.39
PDE5A O76074 1/20 0.39
TSHR P16473 3/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 3/20 0.33
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL13865758 0.91 KHK (0.45) KHKPARP1PDE5ATSHRUSP2
SCHEMBL13865738 0.89 KHK (0.41) KHKPARP1PDE5ATSHRUSP2
SCHEMBL13865746 0.88 PDE5A (0.39) KHKPARP1PDE5ATSHRUSP2
SCHEMBL13865743 0.82 KHK (0.44) KHKTSHRUSP2POLBSMN1; SMN2
SCHEMBL4501430 0.82 USP2 (0.40) KHKPARP1PDE5AUSP2POLB
SCHEMBL13865762 0.82 KHK (0.40) KHKPARP1PDE5ATSHRMEN1
SCHEMBL4521650 0.81 KHK (0.45) KHKPDE5ATSHRUSP2POLB
SCHEMBL13865755 0.80 ALDH1A1 (0.44) KHKTSHRUSP2CCNE2CDK4
SCHEMBL4516105 0.79 RXFP1 (0.49) KHKPDE5ATSHRUSP2POLB
SCHEMBL13865757 0.77 TYK2 (0.42) 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 KHK 3420/4885PARP1 81/4885PDE5A 7/4885

“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.