SCHEMBL4060694

SCHEMBL4060694

CCCOc1cccc(-c2nc3ncc(-c4ccco4)cc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.45
TBK1 Q9UHD2 2/20 0.43
IKBKE Q14164 1/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FGFR1 P11362 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
SCHEMBL4058710 0.95 TBK1 (0.45) AURKATBK1IKBKEMAPTTP53
SCHEMBL4055520 0.93 PPARG (0.43) AURKATBK1IKBKEMAPTTP53
SCHEMBL4054953 0.92 FGFR1 (0.49) AURKATBK1IKBKEMAPTTP53
SCHEMBL4055260 0.91 AURKA (0.47) AURKATBK1IKBKEPPARGPPARA
SCHEMBL4235870 0.89 AURKA (0.43) AURKATBK1IKBKEFGFR1FGFR2
SCHEMBL4055195 0.87 AURKA (0.60) AURKATBK1IKBKESMN1; SMN2KDM4E
SCHEMBL4235243 0.87 TBK1 (0.41) AURKATBK1IKBKEHDAC3HDAC4
SCHEMBL4053057 0.87 AURKA (0.50) AURKATBK1MAPTTP53SMN1; SMN2
SCHEMBL4054895 0.87 AURKA (0.44) AURKATBK1IKBKEALDH1A1HPGD
SCHEMBL4059101 0.85 IKBKE (0.43) AURKATBK1IKBKEALDH1A1HPGD

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 247/4885TBK1 1212/4885IKBKE 129/4885

“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.