SCHEMBL13865812

SCHEMBL13865812

COc1cccc(C(=O)N2CC(c3nc4c(c(C)nn4C4CCCCC4)c(=O)[nH]3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 1/20 0.42
PDE2A O00408 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PDE9A O76083 2/20 0.41
GAA P10253 1/20 0.41
KHK P50053 2/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
ADORA2A P29274 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
UBE2M P61081 1/20 0.40

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
SCHEMBL13865847 0.94 THRB (0.54) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13865859 0.91 THRB (0.54) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13865846 0.89 KHK (0.48) HPGDTP53MAPK1ALDH1A1KHK
SCHEMBL13865865 0.85 HPGD (0.54) THRBHPGDTP53MAPK1HSD11B1
SCHEMBL13865853 0.84 MAPT (0.47) THRBHPGDTP53MAPK1ALDH1A1
SCHEMBL13865900 0.83 HPGD (0.42) HPGDMAPK1PDE2AALDH1A1PDE9A
SCHEMBL13865892 0.83 HPGD (0.54) THRBHPGDTP53MAPK1HSD11B1
SCHEMBL13865834 0.80 HPGD (0.46) THRBHPGDTP53MAPK1ALDH1A1
SCHEMBL13865884 0.80 KHK (0.60) THRBHPGDTP53MAPK1PDE2A
SCHEMBL4505294 0.79 PDE9A (0.47) HPGDTP53MAPK1PDE9ACYP1A2

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 THRB 4184/4885HPGD 132/4885TP53 2773/4885

“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.