SCHEMBL4051595

SCHEMBL4051595

COc1cccc(-c2cnc3nc(-c4ccc5c(c4)OCO5)[nH]c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.57
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
TP53 P04637 1/20 0.47
IKBKE Q14164 4/20 0.45

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
SCHEMBL4059856 0.89 MAPT (0.46) AURKAMAPTMEN1ALDH1A1HPGD
SCHEMBL4062482 0.87 AURKA (0.70) AURKANPSR1LMNAHTTSMN1; SMN2
SCHEMBL4059829 0.85 PARP1 (0.52) AURKAMAPTMEN1ALDH1A1HPGD
SCHEMBL13607925 0.84 MAPT (0.53) AURKAMAPTMEN1ALDH1A1HPGD
SCHEMBL4052372 0.84 AURKA (0.69) AURKAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4059434 0.82 AURKA (0.63) AURKAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4055330 0.82 AURKA (0.67) AURKAALDH1A1HPGDNPSR1KDM4E
SCHEMBL4058862 0.82 CLK1 (0.46) AURKAMAPTMEN1ALDH1A1HPGD
SCHEMBL4058139 0.82 AURKA (0.62) AURKANPSR1LMNAHTTSMN1; SMN2
SCHEMBL4062329 0.81 AURKA (0.61) AURKANPSR1LMNAHTTSMN1; SMN2

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B AURKA 247/4885MAPT 4026/4885MEN1 3709/4885

“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.