SCHEMBL1463312

SCHEMBL1463312

O=C(Nc1cccc(Br)c1)Nc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.48
KIT P10721 6/20 0.48
FLT3 P36888 4/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
FLT1 P17948 4/20 0.48
FLT4 P35916 4/20 0.48
NTRK2 Q16620 4/20 0.48
PLK4 O00444 3/20 0.48
AURKA O14965 3/20 0.48
ROCK2 O75116 3/20 0.48
RPS6KA5 O75582 3/20 0.48
MAP4K4 O95819 3/20 0.48
CSF1R P07333 3/20 0.48
LYN P07948 3/20 0.48
RET P07949 3/20 0.48
FGFR1 P11362 3/20 0.48
RPS6KB1 P23443 3/20 0.48
EPHA2 P29317 3/20 0.48
AXL P30530 3/20 0.48

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
SCHEMBL5464359 0.86 KDR (0.47) KDRKITFLT3HTTFLT1
SCHEMBL5476680 0.85 KDR (0.46) KDRKITFLT3ALDH1A1HTT
SCHEMBL5464378 0.84 MEN1 (0.56) KDRKITFLT3HTTFLT1
SCHEMBL3774563 0.83 ALDH1A1 (0.38) KDRKITFLT3ALDH1A1HTT
SCHEMBL1463540 0.81 GRIK1 (0.50) KDRKITFLT3ALDH1A1HTT
SCHEMBL1463512 0.81 MGLL (0.50) ALDH1A1HTTGRIK1MGLLSTING1
SCHEMBL5950680 0.80 GRIK1 (0.68) ALDH1A1HTTGRIK1STING1MEN1
SCHEMBL22167182 0.77 MGLL (0.54) ALDH1A1HTTNTRK2MAP4K4CLK2
SCHEMBL5474061 0.77 KDR (0.50) KDRKITFLT3HTTFLT1
SCHEMBL5474896 0.77 MAPT (0.52) KDRKITFLT3HTTFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP claimed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US claimed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US claimed
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS OLESEN SOEREN PETER 2011-03-24 US disclosed
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP disclosed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 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 (3 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-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias KCNJ2, KCNN3, KCNE1 KDR 2568/4885KIT 3666/4885FLT3 4546/4885
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 KDR 1142/4885KIT 1089/4885FLT3 2643/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 KDR 2568/4885KIT 3666/4885FLT3 4546/4885

“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.