SCHEMBL4584619

SCHEMBL4584619

Cn1cc(C(C=O)=NO)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.33
IDH1 O75874 1/20 0.32
BRD4 O60885 2/20 0.31

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
SCHEMBL4583993 0.79 PTGS2 (0.32)
SCHEMBL17184760 0.75 ALDH1A1 (0.41) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL4584616 0.72 ALDH1A1 (0.47) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL4584613 0.72 ALDH1A1 (0.47) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL30852642 0.71 ALDH1A1 (0.37) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL5464455 0.70 ALDH1A1 (0.45) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL4585032 0.70 CREBBP (0.46) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL480137 0.70 CREBBP (0.58) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL709323 0.68 BRD4 (0.47) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL21384072 0.68 CREBBP (0.45) KMT2AMEN1HTTALDH1A1HPGD

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-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US 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 KMT2A 3426/4885MEN1 3842/4885HTT 207/4885

“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.