SCHEMBL6070577

SCHEMBL6070577

O=C(NCCCCO)c1ccc2[nH]c3c(ccc4cn[nH]c43)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 2/20 0.47
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
AKR1C3 P42330 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL6071239 0.93 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6070498 0.89 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6071310 0.88 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6071553 0.85 ITK (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6070594 0.83 MAPK1 (0.54) KDM4EALDH1A1HPGDHSD17B10HDAC3
SCHEMBL6071474 0.82 SMYD2 (0.52) KDM4EALDH1A1MEN1KMT2A
SCHEMBL6071038 0.82 MAOB (0.39) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6071307 0.82 MAOB (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6071427 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10HDAC3
SCHEMBL6070463 0.81 IMPDH2 (0.54) KDM4EALDH1A1HPGDMAPTMAOB

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 KDM4E 1799/4885ALDH1A1 4446/4885HPGD 3207/4885

“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.