SCHEMBL10154873

SCHEMBL10154873

O=C1NCCCc2[nH]c3ccc(-c4cccc(F)c4)cc3c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.57
PARP10 Q53GL7 1/20 0.49
PARP11 Q9NR21 1/20 0.49
MAPKAPK2 P49137 3/20 0.44
TNKS2 Q9H2K2 1/20 0.41
PIKFYVE Q9Y2I7 3/20 0.41
BCHE P06276 1/20 0.41
PGR P06401 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHEK1 O14757 1/20 0.39
WEE1 P30291 1/20 0.39

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
SCHEMBL10154870 0.86 KDR (0.66) KDRPARP10BCHEALDH1A1KDM4E
SCHEMBL10154869 0.82 KDR (0.56) KDRMAPKAPK2CHEK1
SCHEMBL10154871 0.81 KDR (0.60) KDRMAPKAPK2PIKFYVE
SCHEMBL10154864 0.80 KDR (0.58) KDRMAPKAPK2PIKFYVE
SCHEMBL12351904 0.78 KDR (0.66) KDRPARP10ALDH1A1LMNAHPGD
SCHEMBL797894 0.78 KDR (0.54) KDRPARP10MAPKAPK2ALDH1A1LMNA
SCHEMBL10154866 0.76 KDR (0.66) KDRPARP10PARP11MAPKAPK2ALDH1A1
SCHEMBL10154875 0.76 KDR (0.70) KDRPARP10PARP11MAPKAPK2ALDH1A1
SCHEMBL10155123 0.76 SIRT2 (0.62) CDK4CCND1KMT2ALMNAMAPT
SCHEMBL619090 0.75 KDR (0.60) KDRBCHEALDH1A1CDK4CCND1

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 2394/4885PARP10 1609/4885PARP11 1395/4885

“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.