SCHEMBL5469037

SCHEMBL5469037

O=c1[nH]nc2c(CO)cc3ccc(-c4cccs4)cc3n12

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.66
MAP3K7 O43318 1/20 0.41
JAK2 O60674 1/20 0.41
KDR P35968 1/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PGR P06401 1/20 0.38
SLC6A11 P48066 1/20 0.38
GRK6 P43250 1/20 0.37
ADORA2A P29274 1/20 0.35
MAOA P21397 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 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
SCHEMBL5465647 0.84 CHEK1 (0.64) CHEK1GRIN1GRIN2BPGRSLC6A11
SCHEMBL5478073 0.81 CHEK1 (0.63) CHEK1MAP3K7JAK2KDR
SCHEMBL5465562 0.79 CHEK1 (1.00) CHEK1MAP3K7JAK2KDR
SCHEMBL5469934 0.77 CHEK1 (0.39) CHEK1MAP3K7JAK2KDR
SCHEMBL5795592 0.77 ADORA1 (0.46) CHEK1MAP3K7JAK2KDR
SCHEMBL5475725 0.76 CHEK1 (0.45) CHEK1MAP3K7JAK2KDR
SCHEMBL5483335 0.73 KDM4E (0.44) CHEK1KDM4EALDH1A1
SCHEMBL5480643 0.69 CHEK1 (1.00) CHEK1
SCHEMBL5470471 0.68 CHEK1 (1.00) CHEK1
SCHEMBL5469935 0.68 CHEK1 (0.54) CHEK1MAP3K7JAK2KDRGRIN1

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-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US claimed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 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-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 CHEK1 13/4885MAP3K7 923/4885JAK2 668/4885

“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.