SCHEMBL6857967

SCHEMBL6857967

CCc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Br)cc32)c1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.74
PDGFRB P09619 10/20 0.74
FGFR1 P11362 8/20 0.74
RET P07949 3/20 0.62
EGFR P00533 2/20 0.59
AURKA O14965 2/20 0.52
FLT1 P17948 2/20 0.52
FLT3 P36888 2/20 0.52
MAP4K2 Q12851 2/20 0.52
STK3 Q13188 2/20 0.52
AURKB Q96GD4 2/20 0.52
ALK Q9UM73 2/20 0.52
PRKAA1 Q13131 2/20 0.52
RPS6KA3 P51812 2/20 0.52
GAK O14976 1/20 0.52
RPS6KA5 O75582 1/20 0.52
RPS6KA4 O75676 1/20 0.52
LATS1 O95835 1/20 0.52
CSNK2A2 P19784 1/20 0.52
MAP2K2 P36507 1/20 0.52

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
SCHEMBL6857969 1.00 KDR (0.74) KDRPDGFRBFGFR1RETEGFR
SCHEMBL13954238 0.87 KDR (0.74) KDRPDGFRBFGFR1RETEGFR
SCHEMBL20051937 0.86 ALK (0.67) KDRPDGFRBFGFR1RETEGFR
SCHEMBL14519116 0.86 RET (0.62) KDRPDGFRBFGFR1RETEGFR
SCHEMBL5370172 0.86 KDR (0.59) KDRPDGFRBFGFR1RETEGFR
SCHEMBL4410717 0.85 KDR (1.00) KDRPDGFRBFGFR1RETEGFR
SCHEMBL4407262 0.85 KDR (0.72) KDRPDGFRBFGFR1RETEGFR
SCHEMBL4410720 0.85 KDR (1.00) KDRPDGFRBFGFR1RETEGFR
SCHEMBL29363046 0.85 KDR (1.00) KDRPDGFRBFGFR1RETEGFR
SCHEMBL4405790 0.85 KDR (0.72) KDRPDGFRBFGFR1RETEGFR

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 5 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
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP 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
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO 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 KDR 1817/4885PDGFRB 1016/4885FGFR1 787/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 KDR 1817/4885PDGFRB 1016/4885FGFR1 787/4885

“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.