SCHEMBL4583848

SCHEMBL4583848

CC(=O)c1ccc(=O)n(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
HCAR3 P49019 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.37
S100A4 P26447 1/20 0.37
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
KCNJ1 P48048 1/20 0.36
SLC2A1 P11166 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B1 P14061 1/20 0.35
CYP3A4 P08684 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
CA1 P00915 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
SCHEMBL3159104 0.85 HCAR3 (0.49) PTGS2HCAR3PTGDR2KMT2ATP53
SCHEMBL28251574 0.83 PARP10 (0.42) PTGS2HCAR3PTGDR2KMT2AADORA2A
SCHEMBL12890137 0.80 LMNA (0.48) KMT2ATP53HPGDLMNAMAPT
SCHEMBL4583984 0.76 PTGS2 (0.35) PTGS2HCAR3PTGDR2KMT2AHPGD
SCHEMBL4583989 0.76 PTGS2 (0.35) PTGS2HCAR3PTGDR2KMT2AHPGD
SCHEMBL22861795 0.76 CA12 (0.49) KMT2AHPGDLMNAMAPTRAB9A
SCHEMBL4585032 0.74 CREBBP (0.46) KMT2AHPGDLMNAMAPTL3MBTL1
SCHEMBL27446368 0.74 PTGS2 (0.40) PTGS2PTGDR2MAPTADORA2AADORA1
SCHEMBL4583993 0.73 PTGS2 (0.32) PTGS2HCAR3PTGDR2ADORA2AADORA1
SCHEMBL16186719 0.72 ACACB (0.43) PTGS2HCAR3KMT2AS100A4HPGD

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-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
CN-1871231-A Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC (JP) 2006-11-29 CN disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 PTGS2 379/4885HCAR3 1804/4885PTGDR2 226/4885

“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.