SCHEMBL3358487

SCHEMBL3358487

Cc1cc(C2(c3cccc(C#N)c3)NC(N)c3ncccc32)cc(C2CC2)c1OC(F)F

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
REN P00797 1/20 0.31
CTSD P07339 1/20 0.31
CYP3A4 P08684 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL3358408 0.89 OPRL1 (0.30)
SCHEMBL3356522 0.88
SCHEMBL3357955 0.85
SCHEMBL3358104 0.81 BACE1 (0.32) BACE1
SCHEMBL3359125 0.79
SCHEMBL3356717 0.76
SCHEMBL3357766 0.76 BACE1 (0.41) BACE1BACE2
SCHEMBL3360050 0.75 BACE1 (0.35) CTSDBACE1BACE2
SCHEMBL3358913 0.74 CTSD (0.31) CTSDBACE1
SCHEMBL3358987 0.72 BACE1 (0.31) BACE1

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 3 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
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 ALOX5AP 1502/4885FEN1 2087/4885REN 1769/4885

“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.