SCHEMBL3770987

SCHEMBL3770987

COc1ccc(Cn2nc(CCc3ccccn3)c3c(NC4CCCCC4)nccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MCHR1 Q99705 2/20 0.39
PDE5A O76074 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRD4 O60885 1/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
BUB1 O43683 1/20 0.36

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 0.91 JAK2 (0.45) JAK2LMNAMAPTPDE5ASMN1; SMN2
SCHEMBL419493 0.87 JAK2 (0.45) JAK2LMNAMAPTPDE5AKCNH2
SCHEMBL3782012 0.85 JAK2 (0.47) JAK2LMNAMAPTPDE5ABRD4
SCHEMBL3778631 0.84 JAK2 (0.43) JAK2LMNAMAPTPDE5AKCNH2
SCHEMBL3781866 0.84 JAK2 (0.49) JAK2LMNAMAPTPDE5ASMN1; SMN2
SCHEMBL3777337 0.84 JAK2 (0.49) JAK2LMNAMAPTPDE5ASMN1; SMN2
SCHEMBL3770178 0.83 JAK2 (0.49) JAK2LMNAMAPTPDE5ASMN1; SMN2
SCHEMBL3711065 0.83 JAK2 (0.51) JAK2LMNAPDE5ARAB9A
SCHEMBL462756 0.83 RAB9A (0.42) JAK2LMNAMAPTPDE5ASMN1; SMN2
SCHEMBL3775402 0.81 JAK2 (0.43) JAK2LMNAMAPTPDE5AACHE

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 9 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
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
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
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO 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 1557/4885LMNA 2925/4885MAPT 4568/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1492/4885LMNA 2870/4885MAPT 4576/4885

“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.