SCHEMBL6856261

SCHEMBL6856261

Cn1cccc1/C=C1\C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.70
PARP1 P09874 1/20 0.60
PARP2 Q9UGN5 1/20 0.60
RPS6KA3 P51812 1/20 0.55
RET P07949 1/20 0.54
PLK4 O00444 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PDGFRB P09619 3/20 0.50
MAP1LC3B Q9GZQ8 1/20 0.50
FGFR1 P11362 1/20 0.50
SRC P12931 1/20 0.50
CCNB2 O95067 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CCR6 P51684 1/20 0.49
CYP1A2 P05177 1/20 0.47
MAPT P10636 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
SCHEMBL6856270 1.00 KDR (0.70) KDRPARP1PARP2RPS6KA3RET
SCHEMBL21466 0.82 KDR (1.00) KDRPARP1PARP2RPS6KA3RET
SCHEMBL21465 0.82 KDR (1.00) KDRPARP1PARP2RPS6KA3RET
SCHEMBL5361124 0.81 KDR (0.64) KDRPARP1PARP2MEN1KMT2A
SCHEMBL5728097 0.79 KDR (0.61) KDRPARP1PARP2RETMEN1
SCHEMBL5728667 0.79 KDR (0.61) KDRPARP1PARP2RPS6KA3RET
SCHEMBL5358203 0.79 KDR (0.61) KDRPARP1PARP2PDGFRBFGFR1
SCHEMBL5727591 0.78 KDR (0.71) KDRPARP1PARP2RETMEN1
SCHEMBL5988312 0.77 KDR (0.70) KDRPARP1PARP2MEN1KMT2A
SCHEMBL14659706 0.77 KDR (0.70) KDRPARP1PARP2MEN1KMT2A

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 4 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
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 (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-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 KDR 1817/4885PARP1 2042/4885PARP2 2232/4885

“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.