SCHEMBL2087776

SCHEMBL2087776

NC1=NC(c2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.49
NOS3 P29474 8/20 0.47
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL15573654 0.76 KCNH2 (0.39) NOS2NOS3KCNH2LMNATP53
SCHEMBL31074927 0.72 NOS2 (0.42) NOS2NOS3ALDH1A1L3MBTL1
SCHEMBL2084767 0.71 NOS2 (0.50) NOS2NOS3
SCHEMBL17449532 0.71 TAAR1 (0.43) NOS2NOS3KCNH2LMNATP53
SCHEMBL8246417 0.69 PKM (0.44) KCNH2LMNATP53CYP1A2MAPT
SCHEMBL9726866 0.69 LRRK2 (0.41) KCNH2LMNACYP1A2CYP3A4MAPT
SCHEMBL25171318 0.66 LMNA (0.54) LMNATP53CYP1A2CYP3A4MAPT
SCHEMBL70993 0.66 LMNA (0.54) LMNATP53CYP1A2CYP3A4MAPT
Benzene SCHEMBL27791155 0.66 LMNA (0.54) LMNATP53CYP1A2CYP3A4MAPT
SCHEMBL29370508 0.66 LMNA (0.54) LMNATP53CYP1A2CYP3A4MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US claimed
CN-101506162-A Substituted isoindoles as bace inhibitors and their use ASTRAZENECA AB (SE) 2009-08-12 CN claimed
EP-2035378-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2009-03-18 EP claimed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US claimed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 WO claimed
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-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
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 NOS2 834/4885NOS3 854/4885KCNH2 3126/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT NOS2 1811/4885NOS3 1601/4885KCNH2 2710/4885

“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.