SCHEMBL13865848

SCHEMBL13865848

CN(C)c1ccc(C(=O)N2CCCC(c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 2/20 0.50
TYK2 P29597 1/20 0.49
TP53 P04637 4/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KHK P50053 1/20 0.42
THRB P10828 1/20 0.42
USP2 O75604 1/20 0.42
DAPK3 O43293 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41

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
SCHEMBL13865933 0.87 HPGD (0.49) HPGDALDH1A1HTTTSHRTYK2
SCHEMBL13865874 0.84 KHK (0.62) HPGDALDH1A1HTTTSHRTP53
SCHEMBL13865825 0.84 PDE9A (0.50) HPGDALDH1A1HTTTSHR
SCHEMBL4512344 0.83 TYK2 (0.48) HPGDALDH1A1HTTTSHRTYK2
SCHEMBL13865845 0.83 HPGD (0.54) HPGDALDH1A1HTTTSHRTYK2
SCHEMBL13865839 0.82 TYK2 (0.52) HPGDALDH1A1HTTTSHRTYK2
SCHEMBL4510202 0.80 TYK2 (0.58) HPGDALDH1A1HTTTSHRTYK2
SCHEMBL4511043 0.78 TYK2 (0.46) HPGDALDH1A1HTTTSHRTYK2
SCHEMBL13865803 0.76 PDE9A (0.47) HPGDMAPT
SCHEMBL4516124 0.76 TYK2 (0.54) HPGDALDH1A1HTTTSHRTYK2

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 HPGD 132/4885ALDH1A1 240/4885HTT 2839/4885

“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.