SCHEMBL20469372

SCHEMBL20469372

CC(C)(C)c1cnc(OCC#N)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20469352 0.82 CA12 (0.36) POLBCA12CA1CA9
SCHEMBL20469344 0.81 ADAM17 (0.32) —
SCHEMBL19229067 0.77 MAPT (0.38) —
SCHEMBL18478409 0.76 POLB (0.50) POLBALDH1A1GAACA12CA1
SCHEMBL20469402 0.74 HCAR2 (0.33) —
SCHEMBL22043409 0.74 GPR119 (0.40) POLBALDH1A1GAACA12CA1
SCHEMBL20469353 0.73 L3MBTL1 (0.42) POLBALDH1A1SMN1; SMN2
SCHEMBL20469416 0.73 PIK3CD (0.33) —
SCHEMBL20469384 0.73 GABRP (0.38) —
SCHEMBL20469376 0.73 APP (0.33) —

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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 — — 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP POLB 3040/4885ALDH1A1 1466/4885GAA 119/4885

“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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