SCHEMBL2086015

SCHEMBL2086015

NC1=NC(c2cccc(O)c2)(c2cc(Cl)nc(Cl)c2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.46
KCNH2 Q12809 5/20 0.46
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
BACE2 Q9Y5Z0 2/20 0.31
CTSD P07339 1/20 0.30
PLK4 O00444 1/20 0.30
ROCK2 O75116 1/20 0.30
RPS6KA5 O75582 1/20 0.30
MAP4K4 O95819 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
SRC P12931 1/20 0.30
PDGFRA P16234 1/20 0.30
PRKACA P17612 1/20 0.30
RPS6KB1 P23443 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
SCHEMBL2082939 0.82 BACE1 (0.44) BACE1KCNH2HSP90AA1HSP90AB1BACE2
SCHEMBL8225687 0.77 BACE1 (0.44) BACE1KCNH2HSP90AA1BACE2
SCHEMBL2085840 0.74 BACE1 (0.38) BACE1KCNH2BACE2CDK9
SCHEMBL2085052 0.73 KCNH2 (0.48) BACE1KCNH2HSP90AA1TP53KMT2A
SCHEMBL2084961 0.73 BACE1 (0.50) BACE1KCNH2BACE2
SCHEMBL8225712 0.73 BACE1 (0.58) BACE1KCNH2BACE2CTSD
SCHEMBL2086657 0.73 BACE1 (0.56) BACE1KCNH2BACE2KMT2A
SCHEMBL3989982 0.70 BACE1 (0.44) BACE1KCNH2ADORA1KMT2A
SCHEMBL12785952 0.69 BACE1 (0.34) BACE1KCNH2BACE2KMT2A
SCHEMBL2085760 0.69 BACE1 (0.78) BACE1KCNH2BACE2

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
CN-101506162-B Substituted isoindoles as bace inhibitors and their use ASTRAZENECA AB 2012-06-27 CN disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
CN-101506162-A Substituted isoindoles as bace inhibitors and their use ASTRAZENECA AB (SE) 2009-08-12 CN disclosed
EP-2035378-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2009-03-18 EP disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 WO disclosed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 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-20110059992-A1 New Compounds MAPT, PSEN2, PSEN1 BACE1 5/4885KCNH2 3126/4885HSP90AA1 2918/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885KCNH2 2710/4885HSP90AA1 2472/4885

“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.