SCHEMBL10154871

SCHEMBL10154871

O=C1NCCCc2[nH]c3ccc(-c4ccncc4)cc3c21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.60
CDC7 O00311 4/20 0.52
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
MAPKAPK2 P49137 3/20 0.43
CDK9 P50750 2/20 0.42
PKN1 Q16512 2/20 0.42
PKN2 Q16513 2/20 0.42
PLK4 O00444 1/20 0.42
MAPK13 O15264 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
RPS6KA4 O75676 1/20 0.42
PRKD3 O94806 1/20 0.42
CHEK2 O96017 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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) KDRCDC7MAPKAPK2PKN2CLK2
SCHEMBL10154869 0.85 KDR (0.56) KDRPDE3BPDE3AMAPKAPK2CDK9
SCHEMBL10154873 0.81 KDR (0.57) KDRMAPKAPK2PIKFYVE
SCHEMBL10154870 0.79 KDR (0.66) KDRCDK5PRKD1
SCHEMBL10154875 0.79 KDR (0.70) KDRMAPKAPK2ROCK2MAPK1PRKD1
SCHEMBL10154866 0.79 KDR (0.66) KDRMAPKAPK2CDK1CDK2MAPK1
SCHEMBL12351904 0.79 KDR (0.66) KDRPKN2ROCK2RPS6KB1CDK2
SCHEMBL10155121 0.75 SIRT2 (0.55) CDC7PDE3BPDE3APKN2PIM3
SCHEMBL619090 0.75 KDR (0.60) KDRPRKD3PRKACAJAK3PRKCQ
SCHEMBL1004259 0.70 KDR (0.55) KDRCDC7MAPKAPK2CDK9CDK1

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 2394/4885CDC7 2726/4885PDE3B 168/4885

“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.