SCHEMBL3243555

SCHEMBL3243555

NC1=NC(c2cccc(OCC3CCC3)c2)(c2ccnc(C(F)(F)F)c2)c2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.45
KCNH2 Q12809 6/20 0.45
PDK2 Q15119 4/20 0.38
IGF1R P08069 2/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL3243573 0.87 BACE1 (0.43) BACE1KCNH2PDK2IGF1RAPP
SCHEMBL3242193 0.85 BACE1 (0.43) BACE1KCNH2PDK2IGF1R
SCHEMBL3239135 0.84 BACE1 (0.47) BACE1KCNH2
SCHEMBL3249126 0.83 BACE1 (0.50) BACE1KCNH2
SCHEMBL3236744 0.83 BACE1 (0.47) BACE1KCNH2
SCHEMBL3243561 0.78 PDK2 (0.38) BACE1KCNH2PDK2
SCHEMBL3357632 0.78 BACE1 (0.52) BACE1KCNH2PDK2
SCHEMBL3239035 0.78 BACE1 (0.52) BACE1KCNH2PDK2
Trifluoroacetic Acid SCHEMBL3243544 0.78 BACE1 (0.42) BACE1KCNH2
SCHEMBL3239148 0.76 BACE1 (0.40) BACE1KCNH2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO claimed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US claimed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4652/4885PDK2 1595/4885

“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.