SCHEMBL13865877

SCHEMBL13865877

COc1ccccc1C(=O)N1CCCC(c2nc3c(c(C)nn3C3CCC3)c(=O)[nH]2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
HTT P42858 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KHK P50053 1/20 0.47
PDE2A O00408 2/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE3B Q13370 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL13865823 0.98 TSHR (0.47) TSHRHTTCYP3A4CYP2C9CYP2C19
SCHEMBL13865900 0.91 HPGD (0.42) TSHRHTTCYP3A4CYP2C9CYP2C19
SCHEMBL13865889 0.87 KHK (0.49) TSHRHTTCYP3A4CYP2C9CYP2C19
SCHEMBL13865894 0.87 KHK (0.62) TSHRHTTCYP3A4CYP2C9CYP2C19
SCHEMBL13865899 0.86 KHK (0.48) TSHRHTTCYP3A4CYP2C9CYP2C19
SCHEMBL13865896 0.86 HPGD (0.57) TSHRHTTCYP3A4CYP2C9CYP2C19
SCHEMBL13865910 0.85 ALDH1A1 (0.59) TSHRHTTCYP3A4CYP2C9CYP2C19
SCHEMBL13865859 0.84 THRB (0.54) TSHRHTTCYP3A4CYP2C9CYP2C19
SCHEMBL13865892 0.84 HPGD (0.54) TSHRHTTMEN1KMT2AKHK
SCHEMBL13865865 0.83 HPGD (0.54) TSHRHTTMEN1KMT2AKHK

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 TSHR 4657/4885HTT 2839/4885CYP3A4 4694/4885

“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.