SCHEMBL15064465

SCHEMBL15064465

CC1(C)OB(c2ccc(Oc3cn4ccccc4n3)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.42
LIPG Q9Y5X9 7/20 0.42
KDM4E B2RXH2 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
PKM P14618 3/20 0.40
EPHX2 P34913 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 1/20 0.38
TLR9 Q9NR96 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SNCA P37840 1/20 0.36
DGAT1 O75907 1/20 0.36
HPGD P15428 2/20 0.34

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
SCHEMBL1726545 0.79 RAB9A (0.56) LPLLIPGKDM4ENPC1RAB9A
SCHEMBL10431770 0.77 KDM4E (0.64) KDM4ENPC1RAB9APKMEPHX2
SCHEMBL8813974 0.77 PTGS1 (0.49) KDM4ENPC1RAB9APKMEPHX2
SCHEMBL9980858 0.74 KDM4E (0.59) KDM4ENPC1RAB9APKMEPHX2
SCHEMBL29370094 0.74 PTGS1 (0.41) LPLLIPGKDM4ENPC1RAB9A
SCHEMBL10431674 0.74 RAB9A (0.55) KDM4ENPC1RAB9APKMEPHX2
SCHEMBL2015861 0.72 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL5899727 0.72 LPL (0.65) LPLLIPGCA1CA2CA9
SCHEMBL5243207 0.72 CA1 (0.61) LPLLIPGCA1CA2CA9
SCHEMBL16158905 0.71 IRAK4 (0.45) LPLLIPGCA1CA2CA9

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
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A LPL 896/4885LIPG 2944/4885KDM4E 1619/4885

“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.