SCHEMBL6072133

SCHEMBL6072133

N#Cc1c(N)nc2ccccc2c1C(O)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
IKBKB O14920 11/20 0.42
CYP1A2 P05177 1/20 0.38
ADORA2A P29274 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ADRA2A P08913 1/20 0.37
HTT P42858 1/20 0.37
ADORA1 P30542 3/20 0.37
MEN1 O00255 1/20 0.37
PIM1 P11309 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4A O75164 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GAA P10253 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
SCHEMBL31636725 0.74 KDM4E (0.56) KDM4EALDH1A1ADORA2AHSD17B10ADRA2A
SCHEMBL3518114 0.74 KDM4E (0.56) KDM4EALDH1A1ADORA2AHSD17B10ADRA2A
SCHEMBL6071941 0.73 KDM4E (0.47) KDM4EALDH1A1IKBKBADORA2AHSD17B10
SCHEMBL6779214 0.72 KDM4E (0.53) KDM4EALDH1A1ADORA2AHSD17B10ADRA2A
SCHEMBL6252164 0.71 KDM4E (0.60) KDM4EALDH1A1CYP1A2ADORA2AHSD17B10
SCHEMBL6071926 0.69 ALDH1A1 (0.46) KDM4EALDH1A1IKBKBADORA2AHSD17B10
SCHEMBL3521028 0.68 KDM4E (0.56) KDM4EALDH1A1ADORA2AHSD17B10ADRA2A
SCHEMBL6253855 0.68 KDM4E (0.56) KDM4EALDH1A1CYP1A2ADORA2AHSD17B10
SCHEMBL31636611 0.68 KDM4E (0.56) KDM4EALDH1A1ADORA2AHSD17B10ADRA2A
SCHEMBL30315435 0.68 KDM4E (0.56) KDM4EALDH1A1CYP1A2ADORA2AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 KDM4E 1032/4885ALDH1A1 3975/4885IKBKB 603/4885

“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.