SCHEMBL12690152

SCHEMBL12690152

NC1=NC2(c3cc(N)ccc3F)COCC2CS1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.71
BACE2 Q9Y5Z0 6/20 0.61
CTSD P07339 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL932018 0.88 BACE1 (0.68) BACE1BACE2
SCHEMBL6878085 0.88 BACE1 (0.68) BACE1BACE2
SCHEMBL18195492 0.88 BACE1 (0.68) BACE1BACE2
SCHEMBL2931081 0.85 BACE1 (0.78) BACE1BACE2
SCHEMBL2619828 0.85 BACE1 (0.78) BACE1BACE2
SCHEMBL967098 0.83 BACE1 (0.62) BACE1BACE2CTSDKCNH2
SCHEMBL934064 0.83 BACE1 (0.62) BACE1BACE2CTSDKCNH2
SCHEMBL6877100 0.83 BACE1 (0.62) BACE1BACE2CTSDKCNH2
Hydrochloric Acid SCHEMBL970513 0.82 BACE1 (0.61) BACE1BACE2CTSDKCNH2
SCHEMBL2926723 0.82 BACE1 (0.55) BACE1BACE2KCNH2

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
EP-2511269-A1 FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP Shionogi & Co., Ltd. (JP) 2012-10-17 EP disclosed
US-20120245155-A1 FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP SHIONOGI & CO., LTD. (JP) 2012-09-27 US disclosed
US-20120245155-A1 FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP SHIONOGI & CO., LTD. (JP) 2012-09-27 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-20120245155-A1 FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP APP, IAPP, BACE1 BACE1 3/4885BACE2 14/4885CTSD 2328/4885

“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.