SCHEMBL5149263

SCHEMBL5149263

CCn1nc(C(=O)C(=O)c2ccccc2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.43
CES1 P23141 9/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21384024 0.82 MARS1 (0.43) AURKARPS6KB1MAPTKMT2AHTT
SCHEMBL5149093 0.80 L3MBTL1 (0.48) CES2CES1MAPTHTTALDH1A1
SCHEMBL21383951 0.73 PTGER4 (0.43) AURKARPS6KB1KMT2ALMNASAE1
SCHEMBL22479641 0.72 LMNA (0.50) AURKARPS6KB1MAPTKMT2ALMNA
SCHEMBL21395273 0.72 LMNA (0.47) AURKARPS6KB1LMNASAE1UBA2
SCHEMBL21383972 0.71 PTGS2 (0.44) MAPTKMT2AHTTLMNASAE1
SCHEMBL6237236 0.70 ALDH1A1 (0.60) MAPTKMT2AHTTALDH1A1SMN1; SMN2
Benzil SCHEMBL7112388 0.70 CES2 (0.78) CES2CES1MAPTKMT2AALDH1A1
SCHEMBL7803958 0.69 HSD17B10 (0.45) MAPTKMT2ALMNASAE1UBA2
Benzil SCHEMBL337491 0.68 CES2 (0.74) CES2CES1MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 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 (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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 CES2 2400/4885CES1 3316/4885AURKA 2518/4885

“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.