SCHEMBL4996504

SCHEMBL4996504

C[Si](C)(C)c1cc2c(s1)C(N)=NC(c1cccc(Br)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 14/20 0.45
NOS2 P35228 8/20 0.45
KDM1A O60341 2/20 0.38

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
Hydrochloric Acid SCHEMBL8098264 0.85 NOS3 (0.59) NOS3NOS2
SCHEMBL14010700 0.82 NOS3 (0.41) NOS3NOS2KDM1A
SCHEMBL8233735 0.80 NOS2 (0.71) NOS3NOS2KDM1A
Hydrochloric Acid SCHEMBL8106479 0.80 NOS2 (0.63) NOS3NOS2
Hydrochloric Acid SCHEMBL8105956 0.77 NOS3 (0.40) NOS3NOS2
Hydrochloric Acid SCHEMBL8090005 0.75 NOS2 (0.64) NOS3NOS2
Hydrochloric Acid SCHEMBL8098981 0.75 NOS2 (0.64) NOS3NOS2
SCHEMBL5005082 0.73 NOS3 (0.71) NOS3NOS2KDM1A
Hydrochloric Acid SCHEMBL8090909 0.73 NOS2 (0.36) NOS3NOS2
Hydrochloric Acid SCHEMBL8090630 0.73 NOS2 (0.37) NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US claimed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1957462-A2 NOVEL 2-AMINO-HETEROCYCLES UDEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES Astra Zeneca AB (SE) 2008-08-20 EP disclosed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 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 (1 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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies PSEN2, APP, PSEN1 NOS3 2189/4885NOS2 1471/4885KDM1A 3884/4885

“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.