SCHEMBL2084767

SCHEMBL2084767

CC1N=C(N)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.50
NOS3 P29474 7/20 0.48
HTR5A P47898 3/20 0.47
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR2C P28335 2/20 0.38
HTR7 P34969 2/20 0.38
NOS1 P29475 1/20 0.36
GPR3 P46089 2/20 0.35
HTR2A P28223 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
SCHEMBL13763134 0.76 HTR5A (0.40) NOS2NOS3HTR5AHTR1AHTR1D
SCHEMBL31074927 0.76 NOS2 (0.42) NOS2NOS3HTR2A
Ammonia Solution, Strong SCHEMBL29260817 0.72 HTR5A (0.38) NOS2NOS3HTR5AHTR1AHTR1D
SCHEMBL2087776 0.71 NOS2 (0.49) NOS2NOS3
SCHEMBL19457510 0.69 HTR5A (0.36) NOS2NOS3HTR5AGPR3
SCHEMBL18497885 0.69 EDNRB (0.38) HTR5A
SCHEMBL8060964 0.65 NOS3 (1.00) NOS2NOS3
Hydrochloric Acid SCHEMBL8382003 0.65 NOS2 (0.96) NOS2NOS3HTR5A
SCHEMBL353865 0.63 HTR2A (0.52) HTR1AHTR7GPR3HTR2A
SCHEMBL11411069 0.63 POLB (0.40) NOS2NOS3HTR2CNOS1GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US 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
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
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 854/4885HTR5A 1111/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT NOS2 1811/4885NOS3 1601/4885HTR5A 772/4885

“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.