SCHEMBL15064685

SCHEMBL15064685

CC(C)(O)Cn1c(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGFR P00533 4/20 0.37
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SNCA P37840 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL15064447 0.83 PTGDR2 (0.46) KDM4EALDH1A1MEN1KMT2A
SCHEMBL14889021 0.71 ACSS2 (0.37) NPC1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL16617162 0.69 TNF (0.62) NPC1MAPTRAB9ALPLLIPG
SCHEMBL16692217 0.69 KDM4E (0.60) NPC1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL15064396 0.68 SNCA (0.39) MAPTRAB9ALPLLIPGCA1
SCHEMBL1701241 0.68 EGFR (0.38) NPC1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL15064395 0.67 SNCA (0.36) MAPTLPLLIPGCA1CA2
SCHEMBL5899727 0.67 LPL (0.65) LPLLIPGCA1CA2CA9
SCHEMBL2185165 0.66 CA1 (0.48) FFAR1LPLLIPGCA1CA2
SCHEMBL14167739 0.66 AAK1 (0.54) FFAR1LPLLIPGCA1CA2

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 FFAR1 2086/4885NPC1 3068/4885MAPT 4109/4885

“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.