SCHEMBL3711065

SCHEMBL3711065

COC(=O)c1ccc(CCc2nn(Cc3ccc(OC)cc3)c3ccnc(NC4CCCCC4)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PDE5A O76074 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EPHX2 P34913 1/20 0.38
FAAH O00519 1/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL419493 0.89 JAK2 (0.45) JAK2CTSLCTSSCTSKPDE5A
SCHEMBL3769196 0.89 JAK2 (0.45) JAK2CTSLCTSSCTSKPDE5A
SCHEMBL3781866 0.87 JAK2 (0.49) JAK2CTSLCTSSCTSKPDE5A
SCHEMBL3777337 0.87 JAK2 (0.49) JAK2CTSLCTSSCTSKPDE5A
SCHEMBL3782012 0.85 JAK2 (0.47) JAK2CTSLCTSSCTSKPDE5A
SCHEMBL3770178 0.85 JAK2 (0.49) JAK2CTSLCTSSCTSKPDE5A
SCHEMBL3772609 0.85 JAK2 (0.49) JAK2CTSLCTSSCTSKPDE5A
SCHEMBL3772605 0.85 JAK2 (0.49) JAK2CTSLCTSSCTSKPDE5A
SCHEMBL3770987 0.83 JAK2 (0.43) JAK2PDE5ALMNARAB9A
SCHEMBL3778631 0.83 JAK2 (0.43) JAK2CTSLCTSSCTSKPDE5A

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 14 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
US-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO 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 (3 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-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC JAK2 2080/4885CTSL 3400/4885CTSS 2112/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1557/4885CTSL 1855/4885CTSS 1724/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1492/4885CTSL 1811/4885CTSS 1722/4885

“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.