SCHEMBL6855418

SCHEMBL6855418

Cc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)oc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.62
RET P07949 3/20 0.60
PLK4 O00444 3/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN1 P18031 2/20 0.51
MAP1LC3B Q9GZQ8 1/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
PDGFRB P09619 4/20 0.49
KDR P35968 4/20 0.49
FGFR1 P11362 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PTPN2 P17706 1/20 0.48
SRC P12931 1/20 0.47
CDK2 P24941 1/20 0.47
PLK1 P53350 1/20 0.47

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
SCHEMBL6830072 1.00 RPS6KA3 (0.62) RPS6KA3RETPLK4MEN1KMT2A
SCHEMBL6830071 0.83 MEN1 (0.67) RPS6KA3RETPLK4MEN1KMT2A
SCHEMBL6854443 0.83 MEN1 (0.67) RPS6KA3RETPLK4MEN1KMT2A
SCHEMBL6001312 0.83 KMT2A (0.67) RPS6KA3RETPLK4MEN1KMT2A
SCHEMBL6001308 0.83 KMT2A (0.67) RPS6KA3RETPLK4MEN1KMT2A
SCHEMBL14448932 0.83 KMT2A (0.67) RPS6KA3RETPLK4MEN1KMT2A
SCHEMBL5366390 0.80 ALDH1A1 (0.45) RPS6KA3RETMEN1KMT2APTPN1
SCHEMBL5373623 0.80 SRC (0.55) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL5357815 0.80 ALDH1A1 (0.38) RPS6KA3RETPLK4MEN1KMT2A
SCHEMBL5358671 0.79 RET (0.39) RPS6KA3RETMEN1KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 RPS6KA3 69/4885RET 534/4885PLK4 304/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 RPS6KA3 69/4885RET 534/4885PLK4 304/4885

“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.