SCHEMBL18443084

SCHEMBL18443084

N#Cc1ccc(C=C(F)I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ PKM P14618 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MMP3 P08254 1/20 0.39

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
SCHEMBL18443083 1.00 FBP1 (0.47) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL26604322 0.83 FBP1 (0.50) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL13267511 0.79 FBP1 (0.56) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL18023350 0.79 FBP1 (0.56) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL17680495 0.79 FBP1 (0.56) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL19531661 0.75 FBP1 (0.47) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL7072105 0.75 KDM4E (0.51) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL7072104 0.75 KDM4E (0.51) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL17680588 0.75 FBP1 (0.47) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL14198043 0.74 FBP1 (0.59) FBP1ALDH1A1KDM4EKMT2APKM

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-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 — — US disclosed
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
WO-2017024180-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-02-09 — — WO 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 (2 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 FBP1 2169/4885ALDH1A1 1466/4885KDM4E 2378/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP FBP1 2169/4885ALDH1A1 1466/4885KDM4E 2378/4885

“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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