SCHEMBL10154869

SCHEMBL10154869

O=C1NCCCc2[nH]c3ccc(-c4cccnc4)cc3c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.56
PKN2 Q16513 1/20 0.46
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
TLR9 Q9NR96 1/20 0.43
DYRK1A Q13627 4/20 0.43
MAPKAPK2 P49137 2/20 0.42
FLT3 P36888 2/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
TBXAS1 P24557 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
TDP2 O95551 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL10154864 0.88 KDR (0.58) KDRPKN2DYRK1AMAPKAPK2PIM1
SCHEMBL10154871 0.85 KDR (0.60) KDRPKN2DYRK1AMAPKAPK2FLT3
SCHEMBL10154873 0.82 KDR (0.57) KDRMAPKAPK2CHEK1
SCHEMBL10155122 0.78 SIRT2 (0.57) TLR8TLR7TLR9DYRK1ACYP11B1
SCHEMBL10154867 0.77 CDC7 (0.48) KDRPKN2DYRK1AMAPKAPK2CYP11B1
SCHEMBL3573147 0.75 MAPKAPK2 (0.71) MAPKAPK2MAPK9
SCHEMBL12351904 0.75 KDR (0.66) KDRPKN2DYRK1AFLT3CYP1A2
SCHEMBL10154870 0.75 KDR (0.66) KDRCDK5
SCHEMBL10154866 0.75 KDR (0.66) KDRMAPKAPK2
SCHEMBL10154875 0.75 KDR (0.70) KDRMAPKAPK2

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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC KDR 2394/4885PKN2 2172/4885TLR8 4363/4885

“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.