SCHEMBL3778631

SCHEMBL3778631

COc1ccc(Cn2nc(CCC3CCNCC3)c3c(NC4CCCCC4)nccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
PDE5A O76074 2/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
LRRK2 Q5S007 3/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
KCNH2 Q12809 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TYRO3 Q06418 1/20 0.34
AOC3 Q16853 2/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL3769196 0.86 JAK2 (0.45) JAK2PDE5ALMNAMAPTTP53
SCHEMBL419493 0.86 JAK2 (0.45) JAK2PDE5ALMNAMAPTPOLB
SCHEMBL3782012 0.84 JAK2 (0.47) JAK2PDE5ALMNAMAPTLRRK2
SCHEMBL3770987 0.84 JAK2 (0.43) JAK2PDE5ALMNAMAPTKCNH2
SCHEMBL3781866 0.83 JAK2 (0.49) JAK2PDE5ALMNAMAPTPOLB
SCHEMBL3777337 0.83 JAK2 (0.49) JAK2PDE5ALMNAMAPTPOLB
SCHEMBL3711065 0.83 JAK2 (0.51) JAK2PDE5ALMNAPOLBCTSL
SCHEMBL13006187 0.81 JAK2 (0.49) JAK2PDE5ALMNAKCNH2TDP1
SCHEMBL3770178 0.81 JAK2 (0.49) JAK2PDE5ALMNAMAPTLRRK2
Hydrochloric Acid SCHEMBL3771545 0.81 JAK2 (0.49) JAK2PDE5ALMNAKCNH2TDP1

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
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
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
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.