SCHEMBL10250331

SCHEMBL10250331

CO[C@]1(C)CC[C@@]2(CC1)Cc1ccc(Br)cc1C2=N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
PDE4B Q07343 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHEK2 O96017 1/20 0.30
ROS1 P08922 1/20 0.30
MARK3 P27448 1/20 0.30
LTK P29376 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
MINK1 Q8N4C8 1/20 0.30
AURKB Q96GD4 1/20 0.30
PBK Q96KB5 1/20 0.30
STK17A Q9UEE5 1/20 0.30
MAP4K5 Q9Y4K4 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL9948563 1.00 APP (0.43) APPPDE4BMEN1KMT2ACHEK2
SCHEMBL9948564 1.00 APP (0.43) APPPDE4BMEN1KMT2ACHEK2
SCHEMBL15168164 0.89 APP (0.34) APPPDE4B
SCHEMBL15168165 0.89 APP (0.34) APPPDE4B
SCHEMBL9948064 0.87 CHEK2 (0.37) APPPDE4BMEN1KMT2ACHEK2
SCHEMBL9948135 0.83 APP (0.43) APPPDE4BMEN1KMT2ABRD4
SCHEMBL9948136 0.83 APP (0.43) APPPDE4BMEN1KMT2ABRD4
SCHEMBL10249617 0.83 APP (0.43) APPPDE4BMEN1KMT2ABRD4
SCHEMBL19567346 0.81 APP (0.53) APP
SCHEMBL7892493 0.81 BACE1 (0.45) APP

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-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-09 US disclosed
EP-3176172-A1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS Astrazeneca AB (SE) 2017-06-07 EP disclosed
US-20160184303-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2016-06-30 US disclosed
US-9248129-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-9248129-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2015-05-14 US disclosed
US-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2015-05-14 US disclosed
US-8865911-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2014-10-21 US disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 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 (6 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-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP APP 3/4885PDE4B 782/4885MEN1 2593/4885
US-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP APP 3/4885PDE4B 782/4885MEN1 2593/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP APP 3/4885PDE4B 782/4885MEN1 2593/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP APP 3/4885PDE4B 782/4885MEN1 2593/4885
US-20160184303-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP APP 3/4885PDE4B 782/4885MEN1 2593/4885
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP APP 3/4885PDE4B 782/4885MEN1 2593/4885

“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.