SCHEMBL6070958

SCHEMBL6070958

CN(C)CCCNC(=O)c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 3/20 0.51
MAPK10 P53779 12/20 0.50
RIPK1 Q13546 10/20 0.50
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
AURKA O14965 1/20 0.47
PTK2B Q14289 1/20 0.47
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
MPI P34949 1/20 0.45

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
SCHEMBL6071258 0.93 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDMAPK10
SCHEMBL6071283 0.90 MAPK10 (0.53) KDM4EALDH1A1HSD17B10HPGDMAPK10
SCHEMBL6070769 0.90 MAPK10 (0.53) KDM4EALDH1A1HSD17B10HPGDMAPK10
SCHEMBL6071265 0.88 MAPK10 (0.55) KDM4EALDH1A1HSD17B10HPGDMAPK10
SCHEMBL14366580 0.87 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDMAPK10
Hydrochloric Acid SCHEMBL5583223 0.86 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDMAPK10
SCHEMBL6071646 0.85 MAPK10 (0.57) KDM4EALDH1A1HSD17B10HPGDMAPK10
SCHEMBL14366581 0.85 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDMAPK10
Hydrochloric Acid SCHEMBL5583161 0.84 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDMAPK10
SCHEMBL6071184 0.83 MAPK10 (0.54) KDM4EALDH1A1HSD17B10HPGDMAPK10

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 4446/4885HSD17B10 4387/4885

“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.