SCHEMBL2135282

SCHEMBL2135282

Cc1cc(OCC(F)(F)F)cnc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
AR P10275 4/20 0.34
AMD1 P17707 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHEK1 O14757 2/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL2132630 0.83 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EARMEN1
SCHEMBL361785 0.82 PIK3CD (0.32)
SCHEMBL16461718 0.79 CYP11B1 (0.42) ALDH1A1MAPTMBOAT4
SCHEMBL10325263 0.76 HPGDS (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2169173 0.76 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EARMEN1
SCHEMBL16011537 0.76 ALDH1A1 (0.42) ALDH1A1MAPTAMD1CYP2C19CYP17A1
SCHEMBL15900572 0.75 KDM1A (0.44) KCNH2
SCHEMBL362114 0.74 ADORA2A (0.37) MBOAT4KCNH2SMN1; SMN2
SCHEMBL16461977 0.73 KDM1A (0.42) CHEK1KCNH2
SCHEMBL28757822 0.72 CYP11B1 (0.40) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795147-B Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use 美国安进公司 2020-09-22 CN disclosed
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 US disclosed
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 US disclosed
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 US disclosed
EP-3177618-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2017-06-14 EP disclosed
US-9550762-B2 Cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN, INC. (US) 2017-01-24 US disclosed
US-9550762-B2 Cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN, INC. (US) 2017-01-24 US disclosed
US-9550762-B2 Cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN, INC. (US) 2017-01-24 US disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20160046618-A1 Cyclopropyl Fused Thiazin-2-Amine Compounds as Beta-Secretase Inhibitors and Methods of Use AMGEN INC. (US) 2016-02-18 US disclosed
WO-2016022724-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2016-02-11 WO disclosed
WO-2016022724-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2016-02-11 WO disclosed
CN-105254557-A ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC 2016-01-20 CN disclosed
CN-105130957-A ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC 2015-12-09 CN disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 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 (4 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ALDH1A1 2895/4885MAPT 2691/4885KDM4E 837/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ALDH1A1 2882/4885MAPT 2659/4885KDM4E 830/4885
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 1149/4885MAPT 134/4885KDM4E 3133/4885
US-20160046618-A1 Cyclopropyl Fused Thiazin-2-Amine Compounds as Beta-Secretase Inhibitors and Methods of Use BACE1, BACE2, APP ALDH1A1 1149/4885MAPT 134/4885KDM4E 3133/4885

“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.