SCHEMBL4308779

SCHEMBL4308779

CCOC(=O)C1Oc2cccnc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CASP1 P29466 2/20 0.42
MAPT P10636 1/20 0.42
CASP7 P55210 1/20 0.42
RIPK1 Q13546 1/20 0.42
NPC1 O15118 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GSK3B P49841 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL3382999 0.80 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL25072493 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL27018773 0.75 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTRIPK1
SCHEMBL18128134 0.73 PARP1 (0.56) MEN1KMT2ARIPK1NPC1CYP1A2
SCHEMBL4067523 0.73 PARP1 (0.56) MEN1KMT2ARIPK1NPC1CYP1A2
SCHEMBL21222945 0.71 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL5799822 0.71 GAA (0.44) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL10197624 0.71 TDP2 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3355386 0.71 HSD17B10 (0.51) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL25551344 0.71 GSK3B (0.49) MEN1KMT2AKDM4ERIPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 US disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 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 (2 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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A MEN1 4242/4885KMT2A 1494/4885ALDH1A1 763/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A MEN1 4227/4885KMT2A 1513/4885ALDH1A1 724/4885

“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.