SCHEMBL10154864

SCHEMBL10154864

O=C1NCCCc2[nH]c3ccc(-c4cncnc4)cc3c21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.58
MAPKAPK2 P49137 4/20 0.44
CDC7 O00311 3/20 0.41
MAPK9 P45984 2/20 0.41
PIKFYVE Q9Y2I7 4/20 0.40
DYRK1A Q13627 4/20 0.39
PRKD1 Q15139 1/20 0.38
MAP3K14 Q99558 1/20 0.37
WNT1 P04628 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
PKN2 Q16513 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
SCHEMBL10154869 0.88 KDR (0.56) KDRMAPKAPK2MAPK9DYRK1AWNT1
SCHEMBL10154871 0.88 KDR (0.60) KDRMAPKAPK2CDC7MAPK9PIKFYVE
SCHEMBL10154873 0.80 KDR (0.57) KDRMAPKAPK2PIKFYVE
SCHEMBL10154875 0.77 KDR (0.70) KDRMAPKAPK2PRKD1
SCHEMBL10154866 0.77 KDR (0.66) KDRMAPKAPK2PRKD1MAP3K14
SCHEMBL12351904 0.77 KDR (0.66) KDRDYRK1APRKD1MAP3K14PIM1
SCHEMBL10154870 0.77 KDR (0.66) KDRPRKD1
SCHEMBL10155125 0.75 SIRT2 (0.54) PIKFYVEDYRK1APIM1PIM3
SCHEMBL619090 0.73 KDR (0.60) KDRPRKD1
SCHEMBL1004259 0.69 KDR (0.55) KDRMAPKAPK2CDC7PRKD1

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 2394/4885MAPKAPK2 4413/4885CDC7 2726/4885

“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.