SCHEMBL5469758

SCHEMBL5469758

Cc1cc2n[nH]c(=O)n2c2ccc(-c3ccc(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.58
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4C Q9H3R0 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5470153 0.81 CHEK1 (0.85) CHEK1
SCHEMBL5480684 0.77 CHEK1 (0.66) CHEK1
SCHEMBL5469930 0.77 CHEK1 (0.52) CHEK1KDM4EALDH1A1HTR1ADRD2
SCHEMBL5465094 0.74 CHEK1 (1.00) CHEK1
SCHEMBL5470143 0.73 CHEK1 (1.00) CHEK1
SCHEMBL5480730 0.73 CHEK1 (0.83) CHEK1
SCHEMBL5482136 0.72 CHEK1 (1.00) CHEK1
SCHEMBL5470112 0.71 CHEK1 (0.61) CHEK1
SCHEMBL5469159 0.70 CHEK1 (0.57) CHEK1
SCHEMBL6864697 0.69 SIGMAR1 (0.76) KDM4EALDH1A1KDM4CTDP1POLB

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 13/4885KDM4E 3368/4885ALDH1A1 1270/4885

“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.