SCHEMBL22025844

SCHEMBL22025844

FC(F)c1cccc(C#Cc2cccc(-c3cncnc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.44
▸ CTSK P43235 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CYP2A6 P11509 1/20 0.37
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ BACE1 P56817 3/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ BACE2 Q9Y5Z0 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
SCHEMBL20601602 0.81 GRM5 (0.41) GRM5ATMCYP2A6BACE1KCNH2
SCHEMBL20625350 0.80 BACE1 (0.46) GRM5ATMCYP2A6BACE1KCNH2
SCHEMBL20601899 0.79 GRM5 (0.39) GRM5
SCHEMBL20625047 0.78 GRM5 (0.49) GRM5ATMCYP2A6BACE1KCNH2
SCHEMBL22025845 0.76 ATM (0.39) CTSKATMCYP2A6GRIN1GRIN2B
SCHEMBL20601799 0.74 ABL1 (0.44) CTSKATMGRIN2BNOTUM
SCHEMBL23190452 0.73 BACE1 (0.50) GRM5BACE1BACE2
SCHEMBL20603203 0.73 GRM5 (0.47) GRM5ATMCYP2A6BACE1KCNH2
SCHEMBL18890284 0.72 IDO1 (0.56) GRM5ATMNOTUMCYP11B1CYP11B2
SCHEMBL8274296 0.72 ATM (0.48) GRM5ATMCYP2A6BACE1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE NANTBIO, INC. (US) 2020-05-28 — — 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-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN2 GRM5 297/4885CTSK 124/4885ATM 2426/4885

“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.

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