SCHEMBL259242

SCHEMBL259242

CC(C)CCOC(=O)c1oc2ncccc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.44
AHR P35869 1/20 0.44
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
PKM P14618 2/20 0.39
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 7/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 4/20 0.35
HTT P42858 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
GAA P10253 3/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 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
SCHEMBL29730728 0.84 KDM4E (0.63) KDM4EAHRHSD17B10MAPK1ALDH1A1
SCHEMBL259266 0.84 KDM4E (0.63) KDM4EAHRHSD17B10MAPK1ALDH1A1
SCHEMBL7872690 0.79 KDM4E (0.60) KDM4EAHRHSD17B10ALDH1A1MAPT
SCHEMBL259026 0.79 HSD17B10 (0.42) KDM4EHSD17B10MAPK1PKMALDH1A1
SCHEMBL13318317 0.74 HSD17B10 (0.42) KDM4EHSD17B10MAPK1PKMALDH1A1
SCHEMBL259027 0.72 RAB9A (0.44) KDM4EHSD17B10ALDH1A1MAPTNPC1
SCHEMBL13298471 0.71 KDM4E (0.66) KDM4EHSD17B10MAPK1ALDH1A1MAPT
SCHEMBL845028 0.69 KDM4E (0.47) KDM4EAHRALDH1A1MAPTNPC1
SCHEMBL23661943 0.68 APP (0.56) KDM4EHSD17B10PKMCYP19A1ALDH1A1
SCHEMBL4859908 0.68 KDM4E (0.46) KDM4EAHRHSD17B10ALDH1A1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885AHR 3602/4885HSD17B10 1278/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885AHR 3602/4885HSD17B10 1278/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885AHR 3602/4885HSD17B10 1278/4885

“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.