SCHEMBL2581070

SCHEMBL2581070

CN1CCN(c2nc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)nc(N3CCN(C)CC3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.52
FLT4 P35916 2/20 0.52
EGFR P00533 3/20 0.51
AURKB Q96GD4 3/20 0.51
PDGFRB P09619 2/20 0.51
TEK Q02763 2/20 0.51
KDR P35968 2/20 0.51
ERBB2 P04626 1/20 0.51
MAPT P10636 9/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SOS2 Q07890 1/20 0.47
RXFP1 Q9HBX9 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
RAD52 P43351 1/20 0.46
IRAK4 Q9NWZ3 4/20 0.46
MEN1 O00255 3/20 0.46

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
SCHEMBL12157496 0.93 MAPT (0.54) AURKAFLT4EGFRAURKBPDGFRB
SCHEMBL2588126 0.88 EGFR (0.47) AURKAFLT4EGFRAURKBPDGFRB
SCHEMBL13855407 0.88 KMT2A (0.49) AURKAFLT4EGFRAURKBPDGFRB
SCHEMBL2586152 0.88 KMT2A (0.55) MAPTKDM4ERAB9ANPC1NPSR1
SCHEMBL2595246 0.84 MAPT (0.46) EGFRAURKBKDRMAPTKDM4E
SCHEMBL2587158 0.82 MAPT (0.50) AURKAFLT4EGFRAURKBPDGFRB
SCHEMBL2578128 0.82 LMNA (0.48) MAPTKDM4ERAB9ANPC1NPSR1
SCHEMBL12157495 0.82 MAPT (0.53) AURKAFLT4EGFRAURKBPDGFRB
SCHEMBL12157492 0.81 KMT2A (0.54) MAPTKDM4ERAB9ANPC1NPSR1
SCHEMBL5259792 0.80 MAPT (0.58) AURKAEGFRAURKBKDRMAPT

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-2215184-B1 ORGANIC FLUORESCENT COMPOSITIONS HONEYWELL INT INC (US) 2014-08-20 EP disclosed
US-20110268896-A1 ORGANIC FLUORESCENT COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2011-11-03 US disclosed
EP-2215184-A1 ORGANIC FLUORESCENT COMPOSITIONS Honeywell International Inc. (US) 2010-08-11 EP disclosed
WO-2009061755-A1 ORGANIC FLUORESCENT COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2009-05-14 WO disclosed
US-20090114355-A1 ORGANIC FLUORESCENT COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2009-05-07 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-20090114355-A1 ORGANIC FLUORESCENT COMPOSITIONS PFAS, FUS, ACR AURKA 501/4885FLT4 1498/4885EGFR 2450/4885

“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.