SCHEMBL3358102

SCHEMBL3358102

Cc1cc(C2(c3ccnc(-c4cncnc4)c3)N=C(N)c3ncccc32)cc(C2CC2)c1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.43
KCNH2 Q12809 15/20 0.43
BACE2 Q9Y5Z0 5/20 0.37
PDE10A Q9Y233 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
SCHEMBL3358981 0.91 BACE1 (0.42) BACE1KCNH2BACE2
SCHEMBL3357945 0.86 BACE1 (0.33) BACE1KCNH2
SCHEMBL3358404 0.85 BACE1 (0.36) BACE1KCNH2BACE2
SCHEMBL3356518 0.83 BACE1 (0.33) BACE1KCNH2BACE2
SCHEMBL3358482 0.81 BACE1 (0.37) BACE1KCNH2BACE2
SCHEMBL3357760 0.81 BACE1 (0.53) BACE1KCNH2BACE2
SCHEMBL3358104 0.80 BACE1 (0.32) BACE1KCNH2PDE10A
SCHEMBL3358057 0.77 BACE1 (0.51) BACE1KCNH2BACE2
SCHEMBL3360047 0.76 BACE1 (0.42) BACE1KCNH2BACE2
SCHEMBL3356710 0.76 BACE1 (0.37) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US claimed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4727/4885BACE2 10/4885

“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.