SCHEMBL18211400

SCHEMBL18211400

COc1cc2c(Nc3ccc(Br)cc3C)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.82
KDR P35968 12/20 0.82
FGFR1 P11362 9/20 0.82
FLT1 P17948 9/20 0.82
FLT4 P35916 9/20 0.82
EPHA2 P29317 3/20 0.82
EPHB4 P54760 3/20 0.82
PDGFRB P09619 2/20 0.82
TEK Q02763 2/20 0.82
RET P07949 2/20 0.82
SRC P12931 2/20 0.82
BMPR1B O00238 1/20 0.82
PLK4 O00444 1/20 0.82
CIT O14578 1/20 0.82
GAK O14976 1/20 0.82
EPHB6 O15197 1/20 0.82
RIPK2 O43353 1/20 0.82
ROCK2 O75116 1/20 0.82
STK10 O94804 1/20 0.82
MAP4K4 O95819 1/20 0.82

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
SCHEMBL19154592 0.92 EGFR (0.84) EGFRKDRFGFR1FLT1FLT4
Vandetanib SCHEMBL29352879 0.90 EGFR (1.00) EGFRKDRFGFR1FLT1FLT4
Vandetanib SCHEMBL28224661 0.90 EGFR (1.00) EGFRKDRFGFR1FLT1FLT4
Vandetanib SCHEMBL9044 0.90 EGFR (1.00) EGFRKDRFGFR1FLT1FLT4
Vandetanib SCHEMBL1614458 0.90 EGFR (1.00) EGFRKDRFGFR1FLT1FLT4
Vandetanib SCHEMBL4637084 0.90 EGFR (0.98) EGFRKDRFGFR1FLT1FLT4
SCHEMBL19006944 0.88 KDR (0.72) EGFRKDRFGFR1FLT1FLT4
SCHEMBL1791359 0.86 EPHA2 (1.00) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL15445277 0.86 EGFR (0.80) EGFRKDRFGFR1FLT1FLT4
SCHEMBL2136770 0.85 EGFR (1.00) EGFRKDRFGFR1FLT1FLT4

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
EP-3092243-B1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2019-06-19 EP disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 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-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 EGFR 60/4885KDR 882/4885FGFR1 7/4885

“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.