SCHEMBL462756

SCHEMBL462756

COc1ccc(Cn2nc(CCc3nnc(-c4ccccc4)o3)c3c(NC4CCCCC4)nccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
JAK2 O60674 1/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PTK2 Q05397 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE6D O43924 1/20 0.35
PDE5A O76074 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 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
SCHEMBL3769196 0.86 JAK2 (0.45) JAK2MAPTLMNAKMT2AMEN1
SCHEMBL3770987 0.83 JAK2 (0.43) RAB9AJAK2MAPTLMNASMN1; SMN2
SCHEMBL419493 0.82 JAK2 (0.45) JAK2MAPTLMNAPDE5A
SCHEMBL3781866 0.80 JAK2 (0.49) RAB9AJAK2MAPTLMNAKMT2A
SCHEMBL3782012 0.80 JAK2 (0.47) JAK2MAPTLMNAPDE5A
SCHEMBL3778631 0.79 JAK2 (0.43) JAK2MAPTLMNAPDE5A
SCHEMBL3777337 0.79 JAK2 (0.49) RAB9AJAK2MAPTLMNAKMT2A
SCHEMBL3711065 0.78 JAK2 (0.51) RAB9AJAK2LMNAPDE5A
SCHEMBL13006215 0.77 JAK2 (0.47) JAK2MAPTLMNASMN1; SMN2
SCHEMBL3770178 0.77 JAK2 (0.49) RAB9AJAK2MAPTLMNAKMT2A

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 10 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-A1 COMPOUNDS Medical Research Council Technology (GB) 2012-01-25 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
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 RAB9A 679/4885JAK2 1557/4885MAPT 4568/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 RAB9A 669/4885JAK2 1492/4885MAPT 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.