SCHEMBL3775402

SCHEMBL3775402

COc1ccc(Cn2nc(C=Cc3ccccn3)c3c(NC4CCCCC4)nccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
PDE5A O76074 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
AOC3 Q16853 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDR P35968 1/20 0.36
BUB1 O43683 1/20 0.36
SSTR5 P35346 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3775398 1.00 JAK2 (0.43) JAK2PDE5ALMNAMAPTACHE
SCHEMBL3768711 0.91 JAK2 (0.44) JAK2PDE5ALMNAMAPTACHE
SCHEMBL3768714 0.91 JAK2 (0.44) JAK2PDE5ALMNAMAPTACHE
SCHEMBL3769148 0.87 JAK2 (0.44) JAK2PDE5ALMNAMAPTAOC3
SCHEMBL3769153 0.87 JAK2 (0.44) JAK2PDE5ALMNAMAPTAOC3
SCHEMBL416412 0.85 JAK2 (0.48) JAK2PDE5ALMNAMAPTAOC3
SCHEMBL416411 0.85 JAK2 (0.48) JAK2PDE5ALMNAMAPTAOC3
SCHEMBL3772609 0.83 JAK2 (0.49) JAK2PDE5ALMNAMAPTAOC3
SCHEMBL3772605 0.83 JAK2 (0.49) JAK2PDE5ALMNAMAPTAOC3
SCHEMBL3770100 0.83 JAK2 (0.47) JAK2PDE5ALMNAMAPTAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1557/4885PDE5A 3820/4885LMNA 2925/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1492/4885PDE5A 3832/4885LMNA 2870/4885

“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.