SCHEMBL2587158

SCHEMBL2587158

CC1CCN(c2nc(Cl)nc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSP90AA1 P07900 1/20 0.50
EGFR P00533 3/20 0.43
AURKB Q96GD4 3/20 0.43
KDR P35968 2/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 5/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PSMD14 O00487 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL12157494 0.94 MAPT (0.49) MAPTTDP1ALDH1A1HSP90AA1EGFR
SCHEMBL2588126 0.94 EGFR (0.47) MAPTTDP1ALDH1A1HSP90AA1EGFR
SCHEMBL2595246 0.90 MAPT (0.46) MAPTEGFRAURKBKDRRAB9A
SCHEMBL2578128 0.88 LMNA (0.48) MAPTTDP1ALDH1A1RAB9AKDM4E
SCHEMBL12157495 0.87 MAPT (0.53) MAPTTDP1ALDH1A1HSP90AA1EGFR
SCHEMBL12157493 0.85 MAPT (0.49) MAPTTDP1EGFRKDRRAB9A
SCHEMBL2588882 0.83 MAPT (0.58) MAPTTDP1EGFRAURKBKDR
SCHEMBL2581070 0.82 AURKA (0.52) MAPTEGFRAURKBKDRRAB9A
SCHEMBL12157491 0.81 LMNA (0.48) MAPTTDP1ALDH1A1RAB9AKDM4E
SCHEMBL2586152 0.81 KMT2A (0.55) MAPTTDP1ALDH1A1RAB9AKDM4E

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 MAPT 27/4885TDP1 875/4885ALDH1A1 454/4885

“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.